2-[[2-methyl-4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[[2-methyl-4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[[2-methyl-4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[2-methyl-4-[2-(methylthio)phenyl]anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[[2-methyl-4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[[2-methyl-4-[2-(methylthio)phenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=CC=C2SC)NC(=O)C3CCCN3C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=CC=C2SC)NC(=O)C3CCCN3C(=O)O

InChI

InChI=1S/C20H22N2O3S/c1-13-12-14(15-6-3-4-8-18(15)26-2)9-10-16(13)21-19(23)17-7-5-11-22(17)20(24)25/h3-4,6,8-10,12,17H,5,7,11H2,1-2H3,(H,21,23)(H,24,25)