1-[3-ethanoylsulfanyl-4-oxidanylidene-4-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-ethanoylsulfanyl-4-oxidanylidene-4-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1,4-dioxo-4-[3-(trifluoromethyl)phenyl]butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-keto-4-[3-(trifluoromethyl)phenyl]butanoyl]proline Formula: C18H18F3NO5S MolecularWeight: 417.39943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C18H18F3NO5S/c1-10(23)28-14(9-15(24)22-7-3-6-13(22)17(26)27)16(25)11-4-2-5-12(8-11)18(19,20)21/h2,4-5,8,13-14H,3,6-7,9H2,1H3,(H,26,27)