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benzoic acid, 4-[[[(2Z)-2-[[4-(chlorodifluoromethoxy)phenyl]imino]-3-ethyltetrahydro-4-oxo-2H-1,3-thiazin-6-yl]carbonyl]amino]-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

benzoic acid, 4-[[[(2Z)-2-[[4-(chlorodifluoromethoxy)phenyl]imino]-3-ethyltetrahydro-4-oxo-2H-1,3-thiazin-6-yl]carbonyl]amino]-, methyl ester
SpectraBase Compound ID GsKOSeEQ1XL
InChI InChI=1S/C22H20ClF2N3O5S/c1-3-28-18(29)12-17(19(30)26-14-6-4-13(5-7-14)20(31)32-2)34-21(28)27-15-8-10-16(11-9-15)33-22(23,24)25/h4-11,17H,3,12H2,1-2H3,(H,26,30)/b27-21-
InChIKey DRMZSSVRQQCWTF-MEFGMAGPSA-N
Mol Weight 511.93 g/mol
Molecular Formula C22H20ClF2N3O5S
Exact Mass 511.078026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBAS14sWqMp
Name 4-([2-[4-(chloro-difluoro-methoxy)-phenylimino]-3-ethyl-4-oxo-[1,3]thiazinane-6-carbonyl]-amino)-benzoic acid methyl ester
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Formula C22H20ClF2N3O5S
InChI InChI=1S/C22H20ClF2N3O5S/c1-3-28-18(29)12-17(19(30)26-14-6-4-13(5-7-14)20(31)32-2)34-21(28)27-15-8-10-16(11-9-15)33-22(23,24)25/h4-11,17H,3,12H2,1-2H3,(H,26,30)/b27-21-
InChIKey DRMZSSVRQQCWTF-MEFGMAGPSA-N
Molecular Weight 511.928 g/mol
SMILES N(C(C1CC(N(\C(S1)=N\c1ccc(OC(F)(Cl)F)cc1)CC)=O)=O)c1ccc(C(=O)OC)cc1
SPLASH splash10-01q9-2965150000-6258210f80ef8f3443d8
Synonyms Methyl 4-({[(2Z)-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-3-ethyl-4-oxotetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoate Methyl 4-({[2-({4-[chloro(difluoro)methoxy]phenyl}imino)-3-ethyl-4-oxo-1,3-thiazinan-6-yl]carbonyl}amino)benzoate
Wiley ID 1463457