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3-[2-(4-chloro-phenyl)-ethyl]-4-oxo-2-phenylimino-[1,3]thiazinane-6-carboxylic acid [4-(chloro-difluoro-methoxy)-phenyl]-amide
SpectraBase Compound ID IFJTctV0TPy
InChI InChI=1S/C26H21Cl2F2N3O3S/c27-18-8-6-17(7-9-18)14-15-33-23(34)16-22(37-25(33)32-19-4-2-1-3-5-19)24(35)31-20-10-12-21(13-11-20)36-26(28,29)30/h1-13,22H,14-16H2,(H,31,35)/b32-25-
InChIKey IGKNWNOTPATKLL-MKCFTUBBSA-N
Mol Weight 564.43 g/mol
Molecular Formula C26H21Cl2F2N3O3S
Exact Mass 563.064874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31JneK5pnop
Name 3-[2-(4-chloro-phenyl)-ethyl]-4-oxo-2-phenylimino-[1,3]thiazinane-6-carboxylic acid [4-(chloro-difluoro-methoxy)-phenyl]-amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21Cl2F2N3O3S
InChI InChI=1S/C26H21Cl2F2N3O3S/c27-18-8-6-17(7-9-18)14-15-33-23(34)16-22(37-25(33)32-19-4-2-1-3-5-19)24(35)31-20-10-12-21(13-11-20)36-26(28,29)30/h1-13,22H,14-16H2,(H,31,35)/b32-25-
InChIKey IGKNWNOTPATKLL-MKCFTUBBSA-N
Molecular Weight 564.435 g/mol
SMILES N(C(C1CC(N(\C(S1)=N\c1ccccc1)CCc1ccc(cc1)Cl)=O)=O)c1ccc(OC(F)(Cl)F)cc1
SPLASH splash10-0a4i-9750000000-734ae9ffed1ee7ac52d4
Synonyms (2Z)-N-{4-[chloro(difluoro)methoxy]phenyl}-3-[2-(4-chlorophenyl)ethyl]-4-oxo-2-(phenylimino)tetrahydro-2H-1,3-thiazine-6-carboxamide N-{4-[chloro(difluoro)methoxy]phenyl}-3-[2-(4-chlorophenyl)ethyl]-4-oxo-2-(phenylimino)-1,3-thiazinane-6-carboxamide
Wiley ID 1462493