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

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-(3-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-butanoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxy-phenyl)-4-oxo-butanoyl]-methyl-amino]acetic acid CAS Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxyphenyl)-1,4-dioxobutyl]-methylamino]acetic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoyl]-methylamino]acetic acid Traditional Name: 2-[[3-(acetylthio)-4-(3-fluoro-4-methoxy-phenyl)-4-keto-butanoyl]-methyl-amino]acetic acid Formula: C16H18FNO6S MolecularWeight: 371.380623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FNO6S/c1-9(19)25-13(7-14(20)18(2)8-15(21)22)16(23)10-4-5-12(24-3)11(17)6-10/h4-6,13H,7-8H2,1-3H3,(H,21,22)