(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-phenyl-2-{[3-(trifluoromethyl)phenyl]imino}tetrahydro-2H-1,3-thiazine-6-carboxamide

SpectraBase Compound ID	KMdQflhihc3
InChI	InChI=1S/C28H26F3N3O4S/c1-37-22-12-11-18(15-23(22)38-2)13-14-34-25(35)17-24(26(36)32-20-8-4-3-5-9-20)39-27(34)33-21-10-6-7-19(16-21)28(29,30)31/h3-12,15-16,24H,13-14,17H2,1-2H3,(H,32,36)/b33-27-
InChIKey	KHHIGOKHZWQCEZ-KGGMANCPSA-N Google Search
Mol Weight	557.59 g/mol
Molecular Formula	C28H26F3N3O4S
Exact Mass	557.159612 g/mol

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SpectraBase Spectrum ID	FFg5dca5fpj
Name	(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-phenyl-2-{[3-(trifluoromethyl)phenyl]imino}tetrahydro-2H-1,3-thiazine-6-carboxamide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C28H26F3N3O4S/c1-37-22-12-11-18(15-23(22)38-2)13-14-34-25(35)17-24(26(36)32-20-8-4-3-5-9-20)39-27(34)33-21-10-6-7-19(16-21)28(29,30)31/h3-12,15-16,24H,13-14,17H2,1-2H3,(H,32,36)/b33-27-
InChIKey	KHHIGOKHZWQCEZ-KGGMANCPSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_21326
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D52984; Labnumber: MPOL-13344; SBI_ID: SBI-021330
Synonyms	3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-phenyl-2-{[3-(trifluoromethyl)phenyl]imino}tetrahydro-2H-1,3-thiazine-6-carboxamide
Temperature	306 °C