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Details

Stereochemistry ACHIRAL
Molecular Formula C24H25F2N3O4S
Molecular Weight 489.535
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

CCOC(=O)N(CC1=C(F)C=CC=C1F)C2=C(C(O)=O)C(CN(C)C)=C(S2)C3=CC=C(N)C=C3

InChI

InChIKey=VWOPRBZSOXJWEH-UHFFFAOYSA-N
InChI=1S/C24H25F2N3O4S/c1-4-33-24(32)29(13-16-18(25)6-5-7-19(16)26)22-20(23(30)31)17(12-28(2)3)21(34-22)14-8-10-15(27)11-9-14/h5-11H,4,12-13,27H2,1-3H3,(H,30,31)

HIDE SMILES / InChI

Molecular Formula C24H25F2N3O4S
Molecular Weight 489.535
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 19:34:27 GMT 2025
Edited
by admin
on Wed Apr 02 19:34:27 GMT 2025
Record UNII
9Q3WB5F2QL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Thiophenecarboxylic acid, 5-(4-aminophenyl)-2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-[(dimethylamino)methyl]-
Preferred Name English
Code System Code Type Description
CAS
2902790-14-9
Created by admin on Wed Apr 02 19:34:27 GMT 2025 , Edited by admin on Wed Apr 02 19:34:27 GMT 2025
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PUBCHEM
171390164
Created by admin on Wed Apr 02 19:34:27 GMT 2025 , Edited by admin on Wed Apr 02 19:34:27 GMT 2025
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FDA UNII
9Q3WB5F2QL
Created by admin on Wed Apr 02 19:34:27 GMT 2025 , Edited by admin on Wed Apr 02 19:34:27 GMT 2025
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