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

Systemtic Name: 3-[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[3-acetylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butanoyl]thiazolidine-4-carboxylic acid CAS Name: 3-[3-(acetylthio)-4-(3-fluoro-4-methoxyphenyl)-1,4-dioxobutyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-[3-acetylsulfanyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[3-(acetylthio)-4-(3-fluoro-4-methoxy-phenyl)-4-keto-butanoyl]thiazolidine-4-carboxylic acid Formula: C17H18FNO6S2 MolecularWeight: 415.456323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CSCC1C(=O)O)C(=O)C2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC(=O)SC(CC(=O)N1CSCC1C(=O)O)C(=O)C2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C17H18FNO6S2/c1-9(20)27-14(6-15(21)19-8-26-7-12(19)17(23)24)16(22)10-3-4-13(25-2)11(18)5-10/h3-5,12,14H,6-8H2,1-2H3,(H,23,24)