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Details

Stereochemistry ACHIRAL
Molecular Formula C25H27NO6S2
Molecular Weight 501.615
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]-5-methyl-4-phenyl-3-thiophenecarboxylate

SMILES

CCOC(=O)CN(C1=C(C(=O)OCC)C(=C(C)S1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C)C=C3

InChI

InChIKey=QRHNCMYYOQFKEC-UHFFFAOYSA-N
InChI=1S/C25H27NO6S2/c1-5-31-21(27)16-26(34(29,30)20-14-12-17(3)13-15-20)24-23(25(28)32-6-2)22(18(4)33-24)19-10-8-7-9-11-19/h7-15H,5-6,16H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C25H27NO6S2
Molecular Weight 501.615
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 19:45:07 GMT 2025
Edited
by admin
on Tue Apr 01 19:45:07 GMT 2025
Record UNII
UEC6Z77VYW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-128706
Preferred Name English
Ethyl 2-[(2-ethoxy-2-oxoethyl)[(4-methylphenyl)sulfonyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylate
Systematic Name English
3-Thiophenecarboxylic acid, 2-[(2-ethoxy-2-oxoethyl)[(4-methylphenyl)sulfonyl]amino]-5-methyl-4-phenyl-, ethyl ester
Systematic Name English
Code System Code Type Description
CAS
53976-19-5
Created by admin on Tue Apr 01 19:45:07 GMT 2025 , Edited by admin on Tue Apr 01 19:45:07 GMT 2025
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EPA CompTox
DTXSID60202280
Created by admin on Tue Apr 01 19:45:07 GMT 2025 , Edited by admin on Tue Apr 01 19:45:07 GMT 2025
PRIMARY
NSC
128706
Created by admin on Tue Apr 01 19:45:07 GMT 2025 , Edited by admin on Tue Apr 01 19:45:07 GMT 2025
PRIMARY
PUBCHEM
278782
Created by admin on Tue Apr 01 19:45:07 GMT 2025 , Edited by admin on Tue Apr 01 19:45:07 GMT 2025
PRIMARY
FDA UNII
UEC6Z77VYW
Created by admin on Tue Apr 01 19:45:07 GMT 2025 , Edited by admin on Tue Apr 01 19:45:07 GMT 2025
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