U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12ClNO5S3
Molecular Weight 357.854
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4S,6S)-4-acetamido-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonyl chloride

SMILES

C[C@H]1C[C@H](NC(C)=O)C2=C(SC(=C2)S(Cl)(=O)=O)S1(=O)=O

InChI

InChIKey=ORRPNAYXCWSHSO-XNCJUZBTSA-N
InChI=1S/C10H12ClNO5S3/c1-5-3-8(12-6(2)13)7-4-9(20(11,16)17)18-10(7)19(5,14)15/h4-5,8H,3H2,1-2H3,(H,12,13)/t5-,8-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4H-Thieno[2,3-b]thiopyran-2-sulfonyl chloride, 4-(acetylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4R-trans)-
Preferred Name English
(4S,6S)-4-acetamido-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonyl chloride
Systematic Name English
Code System Code Type Description
FDA UNII
RW6SZ3RW3D
Created by admin on Wed Apr 02 20:31:32 GMT 2025 , Edited by admin on Wed Apr 02 20:31:32 GMT 2025
PRIMARY
CAS
147128-78-7
Created by admin on Wed Apr 02 20:31:32 GMT 2025 , Edited by admin on Wed Apr 02 20:31:32 GMT 2025
PRIMARY
PUBCHEM
10450999
Created by admin on Wed Apr 02 20:31:32 GMT 2025 , Edited by admin on Wed Apr 02 20:31:32 GMT 2025
PRIMARY