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

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]ethanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butanoyl]amino]acetic acid CAS Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxyphenyl)-1,4-dioxobutyl]amino]acetic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]amino]acetic acid Traditional Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxy-phenyl)-4-keto-butanoyl]amino]acetic acid Formula: C15H16FNO6S MolecularWeight: 357.354043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)NCC(=O)O)C(=O)C1=CC(=C(C=C1)OC)F

Isomeric SMILES

CC(=O)SC(CC(=O)NCC(=O)O)C(=O)C1=CC(=C(C=C1)OC)F

InChI

InChI=1S/C15H16FNO6S/c1-8(18)24-12(6-13(19)17-7-14(20)21)15(22)9-3-4-11(23-2)10(16)5-9/h3-5,12H,6-7H2,1-2H3,(H,17,19)(H,20,21)