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

Systemtic Name: 1-[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(3-fluoro-4-methoxyphenyl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-(3-fluoro-4-methoxy-phenyl)-4-keto-butanoyl]proline Formula: C18H20FNO6S MolecularWeight: 397.417903

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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)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C18H20FNO6S/c1-10(21)27-15(9-16(22)20-7-3-4-13(20)18(24)25)17(23)11-5-6-14(26-2)12(19)8-11/h5-6,8,13,15H,3-4,7,9H2,1-2H3,(H,24,25)