4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-1-[(3-methylphenyl)carbamoyl]-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-1-[(3-methylphenyl)carbamoyl]-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(m-tolylcarbamoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)-oxomethyl]-5-(4-cyanophenyl)-1-[(3-methylanilino)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-[(3-methylphenyl)carbamoyl]-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-1-(m-tolylcarbamoyl)-3-(2-thienyl)proline Formula: C31H24ClN3O4S MolecularWeight: 570.05796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2C(=O)O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H24ClN3O4S/c1-18-5-2-8-23(15-18)34-31(39)35-27(20-12-10-19(17-33)11-13-20)26(29(36)21-6-3-7-22(32)16-21)25(28(35)30(37)38)24-9-4-14-40-24/h2-16,25-28H,1H3,(H,34,39)(H,37,38)