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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-[4-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-[4-(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=C(C=C2)C(F)(F)F)N3CCCC3C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20F3NO2S/c1-27-16-10-6-14(7-11-16)18(24-12-2-3-17(24)19(25)26)13-4-8-15(9-5-13)20(21,22)23/h4-11,17-18H,2-3,12H2,1H3,(H,25,26)