4-({[(2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-3-(4-methoxybenzyl)-4-oxotetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoic acid

SpectraBase Compound ID	GOE9JHxLNHj
InChI	InChI=1S/C29H27N3O7S/c1-3-39-28(37)20-8-12-22(13-9-20)31-29-32(17-18-4-14-23(38-2)15-5-18)25(33)16-24(40-29)26(34)30-21-10-6-19(7-11-21)27(35)36/h4-15,24H,3,16-17H2,1-2H3,(H,30,34)(H,35,36)/b31-29-
InChIKey	NBGXVNJSTQNBBC-YCNYHXFESA-N Google Search
Mol Weight	561.61 g/mol
Molecular Formula	C29H27N3O7S
Exact Mass	561.156971 g/mol

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SpectraBase Spectrum ID	FqNx6ZJQAFM
Name	4-({[(2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-3-(4-methoxybenzyl)-4-oxotetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoic acid
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/C29H27N3O7S/c1-3-39-28(37)20-8-12-22(13-9-20)31-29-32(17-18-4-14-23(38-2)15-5-18)25(33)16-24(40-29)26(34)30-21-10-6-19(7-11-21)27(35)36/h4-15,24H,3,16-17H2,1-2H3,(H,30,34)(H,35,36)/b31-29-
InChIKey	NBGXVNJSTQNBBC-YCNYHXFESA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_2339
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: D02422; Labnumber: MPOL-13117; SBI_ID: SBI-002341
Synonyms	4-({[2-{[4-(ethoxycarbonyl)phenyl]imino}-3-(4-methoxybenzyl)-4-oxotetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoic acid
Temperature	318 °C