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Details

Stereochemistry ACHIRAL
Molecular Formula C21H16F2N2O6S
Molecular Weight 462.423
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[[(2,6-Difluorophenyl)methyl](methoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylic acid

SMILES

COC(=O)N(CC1=C(F)C=CC=C1F)C2=C(C(O)=O)C(C)=C(S2)C3=CC=C(C=C3)[N+]([O-])=O

InChI

InChIKey=NMJIMAVJKOECMS-UHFFFAOYSA-N
InChI=1S/C21H16F2N2O6S/c1-11-17(20(26)27)19(32-18(11)12-6-8-13(9-7-12)25(29)30)24(21(28)31-2)10-14-15(22)4-3-5-16(14)23/h3-9H,10H2,1-2H3,(H,26,27)

HIDE SMILES / InChI

Molecular Formula C21H16F2N2O6S
Molecular Weight 462.423
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 Wed Apr 02 19:54:47 GMT 2025
Edited
by admin
on Wed Apr 02 19:54:47 GMT 2025
Record UNII
EFN9DVY432
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Thiophenecarboxylic acid, 2-[[(2,6-difluorophenyl)methyl](methoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-
Preferred Name English
2-[[(2,6-Difluorophenyl)methyl](methoxycarbonyl)amino]-4-methyl-5-(4-nitrophenyl)-3-thiophenecarboxylic acid
Systematic Name English
Code System Code Type Description
FDA UNII
EFN9DVY432
Created by admin on Wed Apr 02 19:54:47 GMT 2025 , Edited by admin on Wed Apr 02 19:54:47 GMT 2025
PRIMARY
CAS
2902790-20-7
Created by admin on Wed Apr 02 19:54:47 GMT 2025 , Edited by admin on Wed Apr 02 19:54:47 GMT 2025
PRIMARY