4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-1-(phenylcarbamoyl)-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-1-(phenylcarbamoyl)-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-methylsulfanylbenzoyl)-3-phenyl-1-(phenylcarbamoyl)-5-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[anilino(oxo)methyl]-4-[[4-(methylthio)phenyl]-oxomethyl]-3-phenyl-5-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-methylsulfanylbenzoyl)-3-phenyl-1-(phenylcarbamoyl)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-[4-(methylthio)benzoyl]-3-phenyl-1-(phenylcarbamoyl)-5-(2-thienyl)proline Formula: C30H26N2O4S2 MolecularWeight: 542.66844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=CS3)C(=O)NC4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=CS3)C(=O)NC4=CC=CC=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C30H26N2O4S2/c1-37-22-16-14-20(15-17-22)28(33)25-24(19-9-4-2-5-10-19)27(29(34)35)32(26(25)23-13-8-18-38-23)30(36)31-21-11-6-3-7-12-21/h2-18,24-27H,1H3,(H,31,36)(H,34,35)