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Details

Stereochemistry ACHIRAL
Molecular Formula C21H21NO4S2
Molecular Weight 415.526
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 5-methyl-2-[[(4-methylphenyl)sulfonyl]amino]-4-phenyl-3-thiophenecarboxylate

SMILES

CCOC(=O)C1=C(NS(=O)(=O)C2=CC=C(C)C=C2)SC(C)=C1C3=CC=CC=C3

InChI

InChIKey=XJOCRCVEBVGUTO-UHFFFAOYSA-N
InChI=1S/C21H21NO4S2/c1-4-26-21(23)19-18(16-8-6-5-7-9-16)15(3)27-20(19)22-28(24,25)17-12-10-14(2)11-13-17/h5-13,22H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C21H21NO4S2
Molecular Weight 415.526
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:39:19 GMT 2025
Edited
by admin
on Tue Apr 01 19:39:19 GMT 2025
Record UNII
5ZFN6W9BKC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 5-methyl-2-[[(4-methylphenyl)sulfonyl]amino]-4-phenyl-3-thiophenecarboxylate
Systematic Name English
NSC-128707
Preferred Name English
3-Thiophenecarboxylic acid, 5-methyl-2-[[(4-methylphenyl)sulfonyl]amino]-4-phenyl-, ethyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
5ZFN6W9BKC
Created by admin on Tue Apr 01 19:39:19 GMT 2025 , Edited by admin on Tue Apr 01 19:39:19 GMT 2025
PRIMARY
NSC
128707
Created by admin on Tue Apr 01 19:39:19 GMT 2025 , Edited by admin on Tue Apr 01 19:39:19 GMT 2025
PRIMARY
PUBCHEM
278783
Created by admin on Tue Apr 01 19:39:19 GMT 2025 , Edited by admin on Tue Apr 01 19:39:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID70202276
Created by admin on Tue Apr 01 19:39:19 GMT 2025 , Edited by admin on Tue Apr 01 19:39:19 GMT 2025
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CAS
53976-15-1
Created by admin on Tue Apr 01 19:39:19 GMT 2025 , Edited by admin on Tue Apr 01 19:39:19 GMT 2025
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