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Details

Stereochemistry ACHIRAL
Molecular Formula C21H27NO6S2
Molecular Weight 453.572
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCOC(=O)CN(C1=C(C(=O)OCC)C(CC)=C(C)S1)S(=O)(=O)C2=CC=C(C)C=C2

InChI

InChIKey=ILWDMIHFJDAEJF-UHFFFAOYSA-N
InChI=1S/C21H27NO6S2/c1-6-17-15(5)29-20(19(17)21(24)28-8-3)22(13-18(23)27-7-2)30(25,26)16-11-9-14(4)10-12-16/h9-12H,6-8,13H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C21H27NO6S2
Molecular Weight 453.572
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 19:55:44 GMT 2025
Edited
by admin
on Tue Apr 01 19:55:44 GMT 2025
Record UNII
J2DEB3FJL9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-128704
Preferred Name English
Ethyl 2-[(2-ethoxy-2-oxoethyl)[(4-methylphenyl)sulfonyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylate
Systematic Name English
3-Thiophenecarboxylic acid, 2-[(2-ethoxy-2-oxoethyl)[(4-methylphenyl)sulfonyl]amino]-4-ethyl-5-methyl-, ethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
278780
Created by admin on Tue Apr 01 19:55:44 GMT 2025 , Edited by admin on Tue Apr 01 19:55:44 GMT 2025
PRIMARY
CAS
53976-18-4
Created by admin on Tue Apr 01 19:55:44 GMT 2025 , Edited by admin on Tue Apr 01 19:55:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID50202279
Created by admin on Tue Apr 01 19:55:44 GMT 2025 , Edited by admin on Tue Apr 01 19:55:44 GMT 2025
PRIMARY
FDA UNII
J2DEB3FJL9
Created by admin on Tue Apr 01 19:55:44 GMT 2025 , Edited by admin on Tue Apr 01 19:55:44 GMT 2025
PRIMARY
NSC
128704
Created by admin on Tue Apr 01 19:55:44 GMT 2025 , Edited by admin on Tue Apr 01 19:55:44 GMT 2025
PRIMARY