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

Systemtic Name: 1-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-[4-chloro-3-(trifluoromethyl)phenyl]-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-keto-butanoyl]proline Formula: C18H17ClF3NO5S MolecularWeight: 451.84449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClF3NO5S/c1-9(24)29-14(8-15(25)23-6-2-3-13(23)17(27)28)16(26)10-4-5-12(19)11(7-10)18(20,21)22/h4-5,7,13-14H,2-3,6,8H2,1H3,(H,27,28)