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

Systemtic Name: 3-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-2-methyl-5-(3-methylphenyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-2-methyl-5-(m-tolyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-cyanophenyl)-1-[(4-methoxyanilino)-oxomethyl]-2-methyl-5-(3-methylphenyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-2-methyl-5-(3-methylphenyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-1-[(4-methoxyphenyl)carbamoyl]-2-methyl-5-(m-tolyl)-4-(2-thenoyl)proline Formula: C33H29N3O5S MolecularWeight: 579.66546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)NC3=CC=C(C=C3)OC)(C)C(=O)O)C4=CC=C(C=C4)C#N)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=CC(=C1)C2C(C(C(N2C(=O)NC3=CC=C(C=C3)OC)(C)C(=O)O)C4=CC=C(C=C4)C#N)C(=O)C5=CC=CS5

InChI

InChI=1S/C33H29N3O5S/c1-20-6-4-7-23(18-20)29-27(30(37)26-8-5-17-42-26)28(22-11-9-21(19-34)10-12-22)33(2,31(38)39)36(29)32(40)35-24-13-15-25(41-3)16-14-24/h4-18,27-29H,1-3H3,(H,35,40)(H,38,39)