2-methyl-5-(4-methylphenyl)-4-(4-nitrophenyl)carbonyl-1-(phenylcarbamoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 2-methyl-5-(4-methylphenyl)-4-(4-nitrophenyl)carbonyl-1-(phenylcarbamoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 2-methyl-4-(4-nitrobenzoyl)-1-(phenylcarbamoyl)-5-(p-tolyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-2-methyl-5-(4-methylphenyl)-4-[(4-nitrophenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 2-methyl-5-(4-methylphenyl)-4-(4-nitrobenzoyl)-1-(phenylcarbamoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 2-methyl-4-(4-nitrobenzoyl)-1-(phenylcarbamoyl)-5-(p-tolyl)-3-(2-thienyl)proline Formula: C31H27N3O6S MolecularWeight: 569.62758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)NC3=CC=CC=C3)(C)C(=O)O)C4=CC=CS4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)NC3=CC=CC=C3)(C)C(=O)O)C4=CC=CS4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H27N3O6S/c1-19-10-12-20(13-11-19)27-25(28(35)21-14-16-23(17-15-21)34(39)40)26(24-9-6-18-41-24)31(2,29(36)37)33(27)30(38)32-22-7-4-3-5-8-22/h3-18,25-27H,1-2H3,(H,32,38)(H,36,37)