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

Systemtic Name: 1-[(2-methylphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(o-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2-methylphenyl)-[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(o-tolyl)methyl]proline Formula: C20H23NO2S MolecularWeight: 341.46712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=C(C=C2)SC)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=C(C=C2)SC)N3CCCC3C(=O)O

InChI

InChI=1S/C20H23NO2S/c1-14-6-3-4-7-17(14)19(15-9-11-16(24-2)12-10-15)21-13-5-8-18(21)20(22)23/h3-4,6-7,9-12,18-19H,5,8,13H2,1-2H3,(H,22,23)