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4-([2-[4-(chloro-difluoro-methoxy)-phenylimino]-4-oxo-3-phenethyl-[1,3]thiazinane-6-carbonyl]-amino)-benzoic acid methyl ester
SpectraBase Compound ID Di9Ekot5cj
InChI InChI=1S/C28H24ClF2N3O5S/c1-38-26(37)19-7-9-20(10-8-19)32-25(36)23-17-24(35)34(16-15-18-5-3-2-4-6-18)27(40-23)33-21-11-13-22(14-12-21)39-28(29,30)31/h2-14,23H,15-17H2,1H3,(H,32,36)/b33-27+
InChIKey SAGHTXZDHWQVRL-MUGXBBEHSA-N
Mol Weight 588.03 g/mol
Molecular Formula C28H24ClF2N3O5S
Exact Mass 587.109326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0esztFRwWO
Name 4-([2-[4-(chloro-difluoro-methoxy)-phenylimino]-4-oxo-3-phenethyl-[1,3]thiazinane-6-carbonyl]-amino)-benzoic acid methyl ester
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Formula C28H24ClF2N3O5S
InChI InChI=1S/C28H24ClF2N3O5S/c1-38-26(37)19-7-9-20(10-8-19)32-25(36)23-17-24(35)34(16-15-18-5-3-2-4-6-18)27(40-23)33-21-11-13-22(14-12-21)39-28(29,30)31/h2-14,23H,15-17H2,1H3,(H,32,36)/b33-27+
InChIKey SAGHTXZDHWQVRL-MUGXBBEHSA-N
Molecular Weight 588.026 g/mol
SMILES N(C(C1CC(N(\C(S1)=N/c1ccc(OC(Cl)(F)F)cc1)CCc1ccccc1)=O)=O)c1ccc(C(=O)OC)cc1
SPLASH splash10-0pi0-2923000000-d42631456a1a9b08b196
Synonyms Methyl 4-({[(2E)-2-({4-[chloro(difluoro)methoxy]phenyl}imino)-4-oxo-3-(2-phenylethyl)tetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoate Methyl 4-({[2-({4-[chloro(difluoro)methoxy]phenyl}imino)-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate
Wiley ID 1463444