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

Systemtic Name: 1-[3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-4-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-2-methyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-2-methyl-1,4-dioxo-4-[3-(trifluoromethyl)phenyl]butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-2-methyl-4-oxo-4-[3-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-keto-2-methyl-4-[3-(trifluoromethyl)phenyl]butanoyl]proline Formula: C19H20F3NO5S MolecularWeight: 431.42601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C1=CC(=CC=C1)C(F)(F)F)SC(=O)C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(C(C(=O)C1=CC(=CC=C1)C(F)(F)F)SC(=O)C)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C19H20F3NO5S/c1-10(17(26)23-8-4-7-14(23)18(27)28)16(29-11(2)24)15(25)12-5-3-6-13(9-12)19(20,21)22/h3,5-6,9-10,14,16H,4,7-8H2,1-2H3,(H,27,28)