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Details

Stereochemistry ACHIRAL
Molecular Formula C19H14F2N2O4S
Molecular Weight 404.387
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CC1=C(SC(NCC2=C(F)C=CC=C2F)=C1C(O)=O)C3=CC=C(C=C3)[N+]([O-])=O

InChI

InChIKey=BANAPKADVSFHHN-UHFFFAOYSA-N
InChI=1S/C19H14F2N2O4S/c1-10-16(19(24)25)18(22-9-13-14(20)3-2-4-15(13)21)28-17(10)11-5-7-12(8-6-11)23(26)27/h2-8,22H,9H2,1H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C19H14F2N2O4S
Molecular Weight 404.387
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 20:17:09 GMT 2025
Edited
by admin
on Wed Apr 02 20:17:09 GMT 2025
Record UNII
UYF8P4N8UX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[[(2,6-difluorophenyl)methyl]amino]-4-methyl-5-(4-nitrophenyl)3-Thiophenecarboxylic acid
Systematic Name English
3-Thiophenecarboxylic acid, 2-[[(2,6-difluorophenyl)methyl]amino]-4-methyl-5-(4-nitrophenyl)-
Preferred Name English
Code System Code Type Description
CAS
3052941-31-5
Created by admin on Wed Apr 02 20:17:09 GMT 2025 , Edited by admin on Wed Apr 02 20:17:09 GMT 2025
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FDA UNII
UYF8P4N8UX
Created by admin on Wed Apr 02 20:17:09 GMT 2025 , Edited by admin on Wed Apr 02 20:17:09 GMT 2025
PRIMARY