(E)-4-[(4-fluoranyl-2-methylsulfanyl-phenyl)methyl-methoxy-amino]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[(4-fluoranyl-2-methylsulfanyl-phenyl)methyl-methoxy-amino]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[(4-fluoro-2-methylsulfanyl-phenyl)methyl-methoxy-amino]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[[4-fluoro-2-(methylthio)phenyl]methyl-methoxyamino]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[(4-fluoro-2-methylsulfanylphenyl)methyl-methoxyamino]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[[4-fluoro-2-(methylthio)benzyl]-methoxy-amino]-4-hydroxy-2-keto-but-3-enoic acid Formula: C13H14FNO5S MolecularWeight: 315.317363

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Descriptors Computed from Structure

Canonical SMILES:

CON(CC1=C(C=C(C=C1)F)SC)C(=CC(=O)C(=O)O)O

Isomeric SMILES

CON(CC1=C(C=C(C=C1)F)SC)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C13H14FNO5S/c1-20-15(12(17)6-10(16)13(18)19)7-8-3-4-9(14)5-11(8)21-2/h3-6,17H,7H2,1-2H3,(H,18,19)/b12-6+