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

Systemtic Name: 1-[(3,4-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,4-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,4-dichlorophenyl)-[4-(methylthio)phenyl]methyl]proline Formula: C19H19Cl2NO2S MolecularWeight: 396.33066

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC3C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC3C(=O)O

InChI

InChI=1S/C19H19Cl2NO2S/c1-25-14-7-4-12(5-8-14)18(13-6-9-15(20)16(21)11-13)22-10-2-3-17(22)19(23)24/h4-9,11,17-18H,2-3,10H2,1H3,(H,23,24)