U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C26H29F2N3O4S
Molecular Weight 517.588
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=ZLYXGNCEFUCWOM-UHFFFAOYSA-N
InChI=1S/C26H29F2N3O4S/c1-5-34-25(32)22-19(14-30(3)4)23(16-10-12-17(29)13-11-16)36-24(22)31(26(33)35-6-2)15-18-20(27)8-7-9-21(18)28/h7-13H,5-6,14-15,29H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Ethyl 5-(4-aminophenyl)-2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-[(dimethylamino)methyl]-3-thiophenecarboxylate
Systematic Name English
3-Thiophenecarboxylic acid, 5-(4-aminophenyl)-2-[[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino]-4-[(dimethylamino)methyl]-, ethyl ester
Preferred Name English
Code System Code Type Description
CAS
2716866-45-2
Created by admin on Wed Apr 02 19:35:32 GMT 2025 , Edited by admin on Wed Apr 02 19:35:32 GMT 2025
PRIMARY
PUBCHEM
162352978
Created by admin on Wed Apr 02 19:35:32 GMT 2025 , Edited by admin on Wed Apr 02 19:35:32 GMT 2025
PRIMARY
FDA UNII
X4CL4B8M9G
Created by admin on Wed Apr 02 19:35:32 GMT 2025 , Edited by admin on Wed Apr 02 19:35:32 GMT 2025
PRIMARY