3-(4-cyanophenyl)-2-methyl-5-(3-methylphenyl)-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-cyanophenyl)-2-methyl-5-(3-methylphenyl)-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-2-methyl-5-(m-tolyl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-3-(4-cyanophenyl)-2-methyl-5-(3-methylphenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-2-methyl-5-(3-methylphenyl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-2-methyl-5-(m-tolyl)-1-(phenylcarbamoyl)-4-(2-thenoyl)proline Formula: C32H27N3O4S MolecularWeight: 549.63948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)NC3=CC=CC=C3)(C)C(=O)O)C4=CC=C(C=C4)C#N)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)NC3=CC=CC=C3)(C)C(=O)O)C4=CC=C(C=C4)C#N)C(=O)C5=CC=CS5

InChI

InChI=1S/C32H27N3O4S/c1-20-8-6-9-23(18-20)28-26(29(36)25-12-7-17-40-25)27(22-15-13-21(19-33)14-16-22)32(2,30(37)38)35(28)31(39)34-24-10-4-3-5-11-24/h3-18,26-28H,1-2H3,(H,34,39)(H,37,38)