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3-Benzyl-2-(4-chloro-phenylimino)-4-oxo-[1,3]thiazinane-6-carboxylic acid [4-(chloro-difluoro-methoxy)-phenyl]-amide
SpectraBase Compound ID DfHvNVDA3IW
InChI InChI=1S/C25H19Cl2F2N3O3S/c26-17-6-8-19(9-7-17)31-24-32(15-16-4-2-1-3-5-16)22(33)14-21(36-24)23(34)30-18-10-12-20(13-11-18)35-25(27,28)29/h1-13,21H,14-15H2,(H,30,34)/b31-24+
InChIKey JPRHXQGLLBYQRY-QFMPWRQOSA-N
Mol Weight 550.41 g/mol
Molecular Formula C25H19Cl2F2N3O3S
Exact Mass 549.049224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IjHuh0bTMy0
Name 3-Benzyl-2-(4-chloro-phenylimino)-4-oxo-[1,3]thiazinane-6-carboxylic acid [4-(chloro-difluoro-methoxy)-phenyl]-amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19Cl2F2N3O3S
InChI InChI=1S/C25H19Cl2F2N3O3S/c26-17-6-8-19(9-7-17)31-24-32(15-16-4-2-1-3-5-16)22(33)14-21(36-24)23(34)30-18-10-12-20(13-11-18)35-25(27,28)29/h1-13,21H,14-15H2,(H,30,34)/b31-24+
InChIKey JPRHXQGLLBYQRY-QFMPWRQOSA-N
Molecular Weight 550.408 g/mol
SMILES N(C(C1CC(N(\C(S1)=N/c1ccc(cc1)Cl)Cc1ccccc1)=O)=O)c1ccc(OC(F)(Cl)F)cc1
SPLASH splash10-0006-9572030000-7d1801f93173e9a3432b
Synonyms (2E)-3-benzyl-N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-chlorophenyl)imino]-4-oxotetrahydro-2H-1,3-thiazine-6-carboxamide 3-Benzyl-N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Wiley ID 1462191