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Details

Stereochemistry ACHIRAL
Molecular Formula C20H25NO6S2
Molecular Weight 439.546
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]-4,5-dimethyl-3-thiophenecarboxylate

SMILES

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

InChI

InChIKey=KMXJUNAXSPBADZ-UHFFFAOYSA-N
InChI=1S/C20H25NO6S2/c1-6-26-17(22)12-21(29(24,25)16-10-8-13(3)9-11-16)19-18(20(23)27-7-2)14(4)15(5)28-19/h8-11H,6-7,12H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C20H25NO6S2
Molecular Weight 439.546
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 20:19:36 GMT 2025
Edited
by admin
on Tue Apr 01 20:19:36 GMT 2025
Record UNII
9639ED67HC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-128712
Preferred Name English
Ethyl 2-[(2-ethoxy-2-oxoethyl)[(4-methylphenyl)sulfonyl]amino]-4,5-dimethyl-3-thiophenecarboxylate
Systematic Name English
3-Thiophenecarboxylic acid, 2-[(2-ethoxy-2-oxoethyl)[(4-methylphenyl)sulfonyl]amino]-4,5-dimethyl-, ethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
278786
Created by admin on Tue Apr 01 20:19:36 GMT 2025 , Edited by admin on Tue Apr 01 20:19:36 GMT 2025
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FDA UNII
9639ED67HC
Created by admin on Tue Apr 01 20:19:36 GMT 2025 , Edited by admin on Tue Apr 01 20:19:36 GMT 2025
PRIMARY
CAS
53976-16-2
Created by admin on Tue Apr 01 20:19:36 GMT 2025 , Edited by admin on Tue Apr 01 20:19:36 GMT 2025
PRIMARY
NSC
128712
Created by admin on Tue Apr 01 20:19:36 GMT 2025 , Edited by admin on Tue Apr 01 20:19:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID30202277
Created by admin on Tue Apr 01 20:19:36 GMT 2025 , Edited by admin on Tue Apr 01 20:19:36 GMT 2025
PRIMARY