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3-(1,3-Benzodioxol-5-ylmethyl)-N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
SpectraBase Compound ID 1ptG1xu650x
InChI InChI=1S/C26H19ClF3N3O5S/c27-26(29,30)38-19-8-6-17(7-9-19)31-24(35)22-12-23(34)33(13-15-1-10-20-21(11-15)37-14-36-20)25(39-22)32-18-4-2-16(28)3-5-18/h1-11,22H,12-14H2,(H,31,35)/b32-25+
InChIKey MHAFRKLWWWUSCJ-WGPBWIAQSA-N
Mol Weight 577.96 g/mol
Molecular Formula C26H19ClF3N3O5S
Exact Mass 577.068604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjpfIzLnrX4
Name 3-(1,3-Benzodioxol-5-ylmethyl)-N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H19ClF3N3O5S
InChI InChI=1S/C26H19ClF3N3O5S/c27-26(29,30)38-19-8-6-17(7-9-19)31-24(35)22-12-23(34)33(13-15-1-10-20-21(11-15)37-14-36-20)25(39-22)32-18-4-2-16(28)3-5-18/h1-11,22H,12-14H2,(H,31,35)/b32-25+
InChIKey MHAFRKLWWWUSCJ-WGPBWIAQSA-N
Molecular Weight 577.962 g/mol
SMILES N(C(C1CC(N(\C(S1)=N/c1ccc(cc1)F)Cc1cc2OCOc2cc1)=O)=O)c1ccc(OC(F)(Cl)F)cc1
SPLASH splash10-000i-3910000000-788e6dd1bb0fb96ad47b
Synonyms (2E)-3-(1,3-benzodioxol-5-ylmethyl)-N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-fluorophenyl)imino]-4-oxotetrahydro-2H-1,3-thiazine-6-carboxamide 3-Benzo[1,3]dioxol-5-ylmethyl-2-(4-fluoro-phenylimino)-4-oxo-[1,3]thiazinane-6-carboxylic acid[4-(chloro-difluoro-methoxy)-phenyl]-amide
Wiley ID 1462195