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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-[2-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-[2-(trifluoromethyl)phenyl]methyl]proline Formula: C20H20F3NO2S MolecularWeight: 395.43851

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCC3C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCC3C(=O)O

InChI

InChI=1S/C20H20F3NO2S/c1-27-14-10-8-13(9-11-14)18(24-12-4-7-17(24)19(25)26)15-5-2-3-6-16(15)20(21,22)23/h2-3,5-6,8-11,17-18H,4,7,12H2,1H3,(H,25,26)