1-[(3-methylphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-methylphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(m-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-methylphenyl)-[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(m-tolyl)methyl]proline Formula: C20H23NO2S MolecularWeight: 341.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=C(C=C2)SC)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=C(C=C2)SC)N3CCCC3C(=O)O

InChI

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