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3-[2-(4-methoxy-phenyl)-ethyl]-4-oxo-2-(3-trifluoromethyl-phenylimino)-[1,3]thiazinane-6-carboxylic acid [4-(chloro-difluoro-methoxy)-phenyl]-amide
SpectraBase Compound ID DIEGtNhtLVv
InChI InChI=1S/C28H23ClF5N3O4S/c1-40-21-9-5-17(6-10-21)13-14-37-24(38)16-23(25(39)35-19-7-11-22(12-8-19)41-28(29,33)34)42-26(37)36-20-4-2-3-18(15-20)27(30,31)32/h2-12,15,23H,13-14,16H2,1H3,(H,35,39)/b36-26-
InChIKey HDCPOGITHWSPDO-QYVLQNAGSA-N
Mol Weight 628.01 g/mol
Molecular Formula C28H23ClF5N3O4S
Exact Mass 627.101796 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gEE7FrLhTG
Name 3-[2-(4-methoxy-phenyl)-ethyl]-4-oxo-2-(3-trifluoromethyl-phenylimino)-[1,3]thiazinane-6-carboxylic acid [4-(chloro-difluoro-methoxy)-phenyl]-amide
Alternate Name(s) (2Z)-N-{4-[chloro(difluoro)methoxy]phenyl}-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}tetrahydro-2H-1,3-thiazine-6-carboxamide N-{4-[chloro(difluoro)methoxy]phenyl}-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23ClF5N3O4S
InChI InChI=1S/C28H23ClF5N3O4S/c1-40-21-9-5-17(6-10-21)13-14-37-24(38)16-23(25(39)35-19-7-11-22(12-8-19)41-28(29,33)34)42-26(37)36-20-4-2-3-18(15-20)27(30,31)32/h2-12,15,23H,13-14,16H2,1H3,(H,35,39)/b36-26-
InChIKey HDCPOGITHWSPDO-QYVLQNAGSA-N
Molecular Weight 628.014 g/mol
SMILES N(C(C1CC(N(\C(S1)=N\c1cc(C(F)(F)F)ccc1)CCc1ccc(cc1)OC)=O)=O)c1ccc(OC(Cl)(F)F)cc1
SPLASH splash10-001i-0900000000-2cd4cd35538ad06b4d45
Wiley ID 1463456