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2D Structure
Also known as: 147086-83-7, (4s-trans)-n-(5,6-dihydro-6-methyl-7,7-dioxido-4h-thieno[2,3-b]thiopyran-4-yl)-acetamide, N-(6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7l6-thieno[2,3-b]thiopyran-4-yl)-acetamide, Acetamide, n-(5,6-dihydro-6-methyl-7,7-dioxido-4h-thieno[2,3-b]thiopyran-4-yl)-, (4s-trans)- (9ci), Schembl12315839, Bcp11926
Molecular Formula
C10H13NO3S2
Molecular Weight
259.3  g/mol
InChI Key
WJXLCNFSFHSWMJ-RCOVLWMOSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide
2.1.2 InChI
InChI=1S/C10H13NO3S2/c1-6-5-9(11-7(2)12)8-3-4-15-10(8)16(6,13)14/h3-4,6,9H,5H2,1-2H3,(H,11,12)/t6-,9-/m0/s1
2.1.3 InChI Key
WJXLCNFSFHSWMJ-RCOVLWMOSA-N
2.1.4 Canonical SMILES
CC1CC(C2=C(S1(=O)=O)SC=C2)NC(=O)C
2.1.5 Isomeric SMILES
C[C@H]1C[C@@H](C2=C(S1(=O)=O)SC=C2)NC(=O)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 147086-83-7

2. (4s-trans)-n-(5,6-dihydro-6-methyl-7,7-dioxido-4h-thieno[2,3-b]thiopyran-4-yl)-acetamide

3. N-(6-methyl-7,7-dioxo-4,5,6,7-tetrahydro-7l6-thieno[2,3-b]thiopyran-4-yl)-acetamide

4. Acetamide, N-(5,6-dihydro-6-methyl-7,7-dioxido-4h-thieno[2,3-b]thiopyran-4-yl)-, (4s-trans)- (9ci)

5. Schembl12315839

6. Bcp11926

7. Akos015895957

8. N-((4s,6s)-6-methyl-7,7-dioxido-5,6-dihydro-4h-thieno[2,3-b]thiopyran-4-yl)acetamide

9. Ac-22717

10. Z2050039908

11. (4s)-5,6-dihydro-4-(acetylamino)-6alpha-methyl-4h-thieno[2,3-b]thiopyran 7,7-dioxide

12. N-[(2s,4s)-2-methyl-1,1-dioxo-2h,3h,4h-1-thieno[2,3-b]thiopyran-4-yl]acetamide

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 259.3 g/mol
Molecular Formula C10H13NO3S2
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area99.9
Heavy Atom Count16
Formal Charge0
Complexity387
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1