3,5-bis(4-cyanophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3,5-bis(4-cyanophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3,5-bis(4-cyanophenyl)-2-methyl-1-(m-tolylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3,5-bis(4-cyanophenyl)-2-methyl-1-[(3-methylanilino)-oxomethyl]-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3,5-bis(4-cyanophenyl)-2-methyl-1-[(3-methylphenyl)carbamoyl]-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3,5-bis(4-cyanophenyl)-2-methyl-1-(m-tolylcarbamoyl)-4-(2-thenoyl)proline Formula: C33H26N4O4S MolecularWeight: 574.64894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2C(C(C(C2(C)C(=O)O)C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C33H26N4O4S/c1-20-5-3-6-25(17-20)36-32(41)37-29(24-14-10-22(19-35)11-15-24)27(30(38)26-7-4-16-42-26)28(33(37,2)31(39)40)23-12-8-21(18-34)9-13-23/h3-17,27-29H,1-2H3,(H,36,41)(H,39,40)