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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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