3-(4-cyanophenyl)-1-(phenylcarbamoyl)-5-pyridin-3-yl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-cyanophenyl)-1-(phenylcarbamoyl)-5-pyridin-3-yl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-1-(phenylcarbamoyl)-5-(3-pyridyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-3-(4-cyanophenyl)-4-[oxo(thiophen-2-yl)methyl]-5-(3-pyridinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-1-(phenylcarbamoyl)-5-pyridin-3-yl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-1-(phenylcarbamoyl)-5-(3-pyridyl)-4-(2-thenoyl)proline Formula: C29H22N4O4S MolecularWeight: 522.57438

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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=CN=CC=C5

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=CN=CC=C5

InChI

InChI=1S/C29H22N4O4S/c30-16-18-10-12-19(13-11-18)23-24(27(34)22-9-5-15-38-22)25(20-6-4-14-31-17-20)33(26(23)28(35)36)29(37)32-21-7-2-1-3-8-21/h1-15,17,23-26H,(H,32,37)(H,35,36)