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4-([3-[4-(chloro-difluoro-methoxy)-phenyl]-2-methylimino-4-oxo-[1,3]thiazinane-6-carbonyl]-amino)-benzoic acid
SpectraBase Compound ID FC1dumNH9Om
InChI InChI=1S/C20H16ClF2N3O5S/c1-24-19-26(13-6-8-14(9-7-13)31-20(21,22)23)16(27)10-15(32-19)17(28)25-12-4-2-11(3-5-12)18(29)30/h2-9,15H,10H2,1H3,(H,25,28)(H,29,30)/b24-19+
InChIKey KYKQBBYYYKKFAJ-LYBHJNIJSA-N
Mol Weight 483.87 g/mol
Molecular Formula C20H16ClF2N3O5S
Exact Mass 483.046726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Df0U5EXBsiz
Name 4-([3-[4-(chloro-difluoro-methoxy)-phenyl]-2-methylimino-4-oxo-[1,3]thiazinane-6-carbonyl]-amino)-benzoic acid
Alternate Name(s) 4-[({(2E)-3-{4-[chloro(difluoro)methoxy]phenyl}-2-[(E)-methylimino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid 4-[({3-{4-[chloro(difluoro)methoxy]phenyl}-2-[methylimino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid
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Formula C20H16ClF2N3O5S
InChI InChI=1S/C20H16ClF2N3O5S/c1-24-19-26(13-6-8-14(9-7-13)31-20(21,22)23)16(27)10-15(32-19)17(28)25-12-4-2-11(3-5-12)18(29)30/h2-9,15H,10H2,1H3,(H,25,28)(H,29,30)/b24-19+
InChIKey KYKQBBYYYKKFAJ-LYBHJNIJSA-N
Molecular Weight 483.874 g/mol
SMILES N(C(C1CC(N(\C(S1)=N/C)c1ccc(OC(F)(F)Cl)cc1)=O)=O)c1ccc(C(=O)O)cc1
SPLASH splash10-01c0-3965100000-74687377309bc422b28b
Wiley ID 1463466