1-(4-ethanoylsulfanylbutanoyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-ethanoylsulfanylbutanoyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-acetylsulfanylbutanoyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(acetylthio)-1-oxobutyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-acetylsulfanylbutanoyl)-4-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(acetylthio)butanoyl]-4-[3-(trifluoromethyl)benzyl]proline Formula: C19H22F3NO4S MolecularWeight: 417.44249

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCC(=O)N1CC(CC1C(=O)O)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(=O)SCCCC(=O)N1CC(CC1C(=O)O)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C19H22F3NO4S/c1-12(24)28-7-3-6-17(25)23-11-14(10-16(23)18(26)27)8-13-4-2-5-15(9-13)19(20,21)22/h2,4-5,9,14,16H,3,6-8,10-11H2,1H3,(H,26,27)