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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H13NO6S3
Molecular Weight 339.408
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=ULCPNJRZMDKIQM-XNCJUZBTSA-N
InChI=1S/C10H13NO6S3/c1-5-3-8(11-6(2)12)7-4-9(20(15,16)17)18-10(7)19(5,13)14/h4-5,8H,3H2,1-2H3,(H,11,12)(H,15,16,17)/t5-,8-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(4S,6S)-4-Acetamido-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonic acid
Preferred Name English
4-Acetamido-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonic acid, (4S,6S)-
Systematic Name English
4H-Thieno[2,3-b]thiopyran-2-sulfonic acid, 4-(acetylamino)-5,6-dihydro-6-methyl-, 7,7-dioxide, (4S-trans)-
Systematic Name English
Code System Code Type Description
PUBCHEM
59318493
Created by admin on Wed Apr 02 19:34:32 GMT 2025 , Edited by admin on Wed Apr 02 19:34:32 GMT 2025
PRIMARY
FDA UNII
F28GG3TZ9P
Created by admin on Wed Apr 02 19:34:32 GMT 2025 , Edited by admin on Wed Apr 02 19:34:32 GMT 2025
PRIMARY
CAS
161513-61-7
Created by admin on Wed Apr 02 19:34:32 GMT 2025 , Edited by admin on Wed Apr 02 19:34:32 GMT 2025
PRIMARY