4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-2-methyl-1-(phenylcarbamoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3-chlorophenyl)carbonyl-5-(4-cyanophenyl)-2-methyl-1-(phenylcarbamoyl)-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-2-methyl-1-(phenylcarbamoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-4-[(3-chlorophenyl)-oxomethyl]-5-(4-cyanophenyl)-2-methyl-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-2-methyl-1-(phenylcarbamoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-(3-chlorobenzoyl)-5-(4-cyanophenyl)-2-methyl-1-(phenylcarbamoyl)-3-(2-thienyl)proline Formula: C31H24ClN3O4S MolecularWeight: 570.05796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C#N)C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C#N)C(=O)C4=CC(=CC=C4)Cl)C5=CC=CS5)C(=O)O

InChI

InChI=1S/C31H24ClN3O4S/c1-31(29(37)38)26(24-11-6-16-40-24)25(28(36)21-7-5-8-22(32)17-21)27(20-14-12-19(18-33)13-15-20)35(31)30(39)34-23-9-3-2-4-10-23/h2-17,25-27H,1H3,(H,34,39)(H,37,38)