ethyl 4-({(2Z)-6-[(2-chloroanilino)carbonyl]-3-[2-(4-fluorophenyl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate

SpectraBase Compound ID	4zEo9VcJ64Q
InChI	InChI=1S/C28H25ClFN3O4S/c1-2-37-27(36)19-9-13-21(14-10-19)31-28-33(16-15-18-7-11-20(30)12-8-18)25(34)17-24(38-28)26(35)32-23-6-4-3-5-22(23)29/h3-14,24H,2,15-17H2,1H3,(H,32,35)/b31-28-
InChIKey	FGDUMBRRIWHEIL-PNOGMODKSA-N Google Search
Mol Weight	554.04 g/mol
Molecular Formula	C28H25ClFN3O4S
Exact Mass	553.123833 g/mol

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SpectraBase Spectrum ID	9F5GRksZBKD
Name	ethyl 4-({(2Z)-6-[(2-chloroanilino)carbonyl]-3-[2-(4-fluorophenyl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
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/C28H25ClFN3O4S/c1-2-37-27(36)19-9-13-21(14-10-19)31-28-33(16-15-18-7-11-20(30)12-8-18)25(34)17-24(38-28)26(35)32-23-6-4-3-5-22(23)29/h3-14,24H,2,15-17H2,1H3,(H,32,35)/b31-28-
InChIKey	FGDUMBRRIWHEIL-PNOGMODKSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_1161
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: C94459; Labnumber: MPOL-16102; SBI_ID: SBI-001163
Synonyms	ethyl 4-({6-[(2-chloroanilino)carbonyl]-3-[2-(4-fluorophenyl)ethyl]-4-oxotetrahydro-2H-1,3-thiazin-2-ylidene}amino)benzoate
Temperature	318 °C