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

Systemtic Name: 3-[(4-methylphenyl)carbonyl-(phenylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[benzyl-(4-methylbenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylphenyl)-oxomethyl]-(phenylmethyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[benzyl-(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[benzyl(p-toluoyl)amino]-5-phenyl-2-thenoic acid Formula: C26H21NO3S MolecularWeight: 427.51484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H21NO3S/c1-18-12-14-21(15-13-18)25(28)27(17-19-8-4-2-5-9-19)22-16-23(31-24(22)26(29)30)20-10-6-3-7-11-20/h2-16H,17H2,1H3,(H,29,30)