5-[4-(2-carboxyethyl)phenyl]-3-[(4-methylphenyl)carbonyl-propyl-amino]thiophene-2-carboxylic acid

Systemtic Name: 5-[4-(2-carboxyethyl)phenyl]-3-[(4-methylphenyl)carbonyl-propyl-amino]thiophene-2-carboxylic acid Openeye Name: 5-[4-(2-carboxyethyl)phenyl]-3-[(4-methylbenzoyl)-propyl-amino]thiophene-2-carboxylic acid CAS Name: 5-[4-(2-carboxyethyl)phenyl]-3-[[(4-methylphenyl)-oxomethyl]-propylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-[4-(2-carboxyethyl)phenyl]-3-[(4-methylbenzoyl)-propylamino]thiophene-2-carboxylic acid Traditional Name: 5-[4-(2-carboxyethyl)phenyl]-3-[propyl(p-toluoyl)amino]-2-thenoic acid Formula: C25H25NO5S MolecularWeight: 451.5347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(SC(=C1)C2=CC=C(C=C2)CCC(=O)O)C(=O)O)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCN(C1=C(SC(=C1)C2=CC=C(C=C2)CCC(=O)O)C(=O)O)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H25NO5S/c1-3-14-26(24(29)19-9-4-16(2)5-10-19)20-15-21(32-23(20)25(30)31)18-11-6-17(7-12-18)8-13-22(27)28/h4-7,9-12,15H,3,8,13-14H2,1-2H3,(H,27,28)(H,30,31)