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2D Structure
Also known as: 70415-50-8, 2h-thieno(2,3-e)-1,2-thiazine-3-carboxylic acid, 6-chloro-4-hydroxy-2-methyl-, methyl ester, 1,1-dioxide, 615-114-1, 6-chloro-4-hydroxy-2-methyl-2h-thieno[2,3-e]-1,2-thiazine-3-carboxylic acid methyl ester 1,1-dioxide, 6-chloro-4-hydroxy-2-methyl-3-methoxycarbonyl-2h-thieno[2,3-e]-1,2-thiazine-1,1-dioxide, Methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate
Molecular Formula
C9H8ClNO5S2
Molecular Weight
309.7  g/mol
InChI Key
HITUAYIBHWKKFU-UHFFFAOYSA-N
FDA UNII
DRF8LK2DAL

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate
2.1.2 InChI
InChI=1S/C9H8ClNO5S2/c1-11-6(9(13)16-2)7(12)8-4(18(11,14)15)3-5(10)17-8/h3,12H,1-2H3
2.1.3 InChI Key
HITUAYIBHWKKFU-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
DRF8LK2DAL
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 70415-50-8

2. 2h-thieno(2,3-e)-1,2-thiazine-3-carboxylic Acid, 6-chloro-4-hydroxy-2-methyl-, Methyl Ester, 1,1-dioxide

3. 615-114-1

4. 6-chloro-4-hydroxy-2-methyl-2h-thieno[2,3-e]-1,2-thiazine-3-carboxylic Acid Methyl Ester 1,1-dioxide

5. 6-chloro-4-hydroxy-2-methyl-3-methoxycarbonyl-2h-thieno[2,3-e]-1,2-thiazine-1,1-dioxide

6. Methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxylate

7. Mfcd08063942

8. Methyl 6-chloro-4-hydroxy-2-methyl-2h-thieno[2,3-e]-1,2-thiazine-3-formate 1,1-dioxide

9. 6-chloro-4-hydroxy-2-methyl-2h-thieno(2,3-e)-1,2-thiazine-3-carboxylic Acid Methyl Ester 1,1-dioxide

10. Lornoxicam Impurity 12

11. C9h8clno5s2

12. Methyl 6-chloro-4-hydroxy-2-methyl-2h-thieno[2,3-e]-1,2-thiazine-3-formate 1,1-dioxide;

13. Hituayibhwkkfu-uhfffaoysa-n

14. Methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-1??-thieno[2,3-e][1,2]thiazine-3-carboxylate

15. Drf8lk2dal

16. 6-chloro-4-hydroxy-2-methyl-2h-thieno[2,3-e]-1,2-thiazine-3-carboxylicacidmethylester1,1-dioxide

17. Schembl6702830

18. Dtxsid90715999

19. Bcp04680

20. Akos000279590

21. Ac-4677

22. Fc20089

23. Methyl 6-chloro-4-hydroxy-2-methyl-2h-thieno[2,3-e][1,2]thiazine-3-carboxylate 1,1-dioxide

24. As-13175

25. Sy317145

26. Db-359450

27. Cs-0187205

28. D97488

29. A1-01702

30. Methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~-thieno[2,3-e][1,2]thiazine-3-carboxylate

31. Methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-2h-1

32. E?-thieno[2,3-e][1,2]thiazine-3-carboxylate

33. Methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-4h-1-thieno[3,2-b][1,4]thiazine-3-carboxylate

34. Methyl 6-chloro-4-hydroxy-2-methyl-1,1-dioxo-4h-1lambda-thieno[3,2-b][1,4]thiazine-3-carboxylate

2.4 Create Date
2011-12-26
3 Chemical and Physical Properties
Molecular Weight 309.7 g/mol
Molecular Formula C9H8ClNO5S2
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area121
Heavy Atom Count18
Formal Charge0
Complexity512
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1