2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butanoyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxyphenyl)-1,4-dioxobutyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxy-phenyl)-4-keto-butanoyl]amino]-3-(methylthio)propionic acid Formula: C17H20FNO6S2 MolecularWeight: 417.472203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)NC(CSC)C(=O)O)C(=O)C1=CC(=C(C=C1)OC)F

Isomeric SMILES

CC(=O)SC(CC(=O)NC(CSC)C(=O)O)C(=O)C1=CC(=C(C=C1)OC)F

InChI

InChI=1S/C17H20FNO6S2/c1-9(20)27-14(7-15(21)19-12(8-26-3)17(23)24)16(22)10-4-5-13(25-2)11(18)6-10/h4-6,12,14H,7-8H2,1-3H3,(H,19,21)(H,23,24)