3-(4-chlorophenyl)-5-(4-fluorophenyl)-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-3-(4-chlorophenyl)-5-(4-fluorophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-chlorophenyl)-5-(4-fluorophenyl)-1-(phenylcarbamoyl)-4-(2-thenoyl)proline Formula: C29H22ClFN2O4S MolecularWeight: 549.012383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)N2C(C(C(C2C(=O)O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CS4)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)N2C(C(C(C2C(=O)O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CS4)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H22ClFN2O4S/c30-19-12-8-17(9-13-19)23-24(27(34)22-7-4-16-38-22)25(18-10-14-20(31)15-11-18)33(26(23)28(35)36)29(37)32-21-5-2-1-3-6-21/h1-16,23-26H,(H,32,37)(H,35,36)