3,5-bis(4-cyanophenyl)-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3,5-bis(4-cyanophenyl)-1-(phenylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3,5-bis(4-cyanophenyl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-3,5-bis(4-cyanophenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3,5-bis(4-cyanophenyl)-1-(phenylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3,5-bis(4-cyanophenyl)-1-(phenylcarbamoyl)-4-(2-thenoyl)proline Formula: C31H22N4O4S MolecularWeight: 546.59578

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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)C#N)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)N2C(C(C(C2C(=O)O)C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H22N4O4S/c32-17-19-8-12-21(13-9-19)25-26(29(36)24-7-4-16-40-24)27(22-14-10-20(18-33)11-15-22)35(28(25)30(37)38)31(39)34-23-5-2-1-3-6-23/h1-16,25-28H,(H,34,39)(H,37,38)