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

Systemtic Name: 3-[(4-methylphenyl)carbonyl-[(2-methylphenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(4-methylbenzoyl)-(o-tolylmethyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(2-methylphenyl)methyl-[(4-methylphenyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylbenzoyl)-[(2-methylphenyl)methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2-methylbenzyl)-p-toluoyl-amino]-5-phenyl-2-thenoic acid Formula: C27H23NO3S MolecularWeight: 441.54142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2C)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=CC=CC=C2C)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H23NO3S/c1-18-12-14-21(15-13-18)26(29)28(17-22-11-7-6-8-19(22)2)23-16-24(32-25(23)27(30)31)20-9-4-3-5-10-20/h3-16H,17H2,1-2H3,(H,30,31)