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3-(1,3-Benzodioxol-5-ylmethyl)-N-{4-[chloro(difluoro)methoxy]phenyl}-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
SpectraBase Compound ID AeG1810ZfP4
InChI InChI=1S/C27H19ClF5N3O5S/c28-27(32,33)41-19-7-5-17(6-8-19)34-24(38)22-12-23(37)36(13-15-4-9-20-21(10-15)40-14-39-20)25(42-22)35-18-3-1-2-16(11-18)26(29,30)31/h1-11,22H,12-14H2,(H,34,38)/b35-25+
InChIKey VWGMLXIISITXRS-KVQDIILNSA-N
Mol Weight 627.97 g/mol
Molecular Formula C27H19ClF5N3O5S
Exact Mass 627.06541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7slIYFwXZQm
Name 3-(1,3-Benzodioxol-5-ylmethyl)-N-{4-[chloro(difluoro)methoxy]phenyl}-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
Alternate Name(s) (2E)-3-(1,3-benzodioxol-5-ylmethyl)-N-{4-[chloro(difluoro)methoxy]phenyl}-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}tetrahydro-2H-1,3-thiazine-6-carboxamide 3-Benzo[1,3]dioxol-5-ylmethyl-4-oxo-2-(3-trifluoromethyl-phenylimino)-[1,3]thiazinane-6-carboxylic acid[4-(chloro-difluoro-methoxy)-phenyl]-amide
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Formula C27H19ClF5N3O5S
InChI InChI=1S/C27H19ClF5N3O5S/c28-27(32,33)41-19-7-5-17(6-8-19)34-24(38)22-12-23(37)36(13-15-4-9-20-21(10-15)40-14-39-20)25(42-22)35-18-3-1-2-16(11-18)26(29,30)31/h1-11,22H,12-14H2,(H,34,38)/b35-25+
InChIKey VWGMLXIISITXRS-KVQDIILNSA-N
Molecular Weight 627.970 g/mol
SMILES N(C(C1CC(N(\C(S1)=N/c1cc(C(F)(F)F)ccc1)Cc1cc2OCOc2cc1)=O)=O)c1ccc(OC(F)(Cl)F)cc1
SPLASH splash10-000i-1921002000-e7ee11d767b76d928601
Wiley ID 1463463