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

SpectraBase Compound ID	EjFid9nqEIB
InChI	InChI=1S/C29H27N3O6S/c1-2-38-28(37)21-10-14-23(15-11-21)31-29-32(17-16-19-6-4-3-5-7-19)25(33)18-24(39-29)26(34)30-22-12-8-20(9-13-22)27(35)36/h3-15,24H,2,16-18H2,1H3,(H,30,34)(H,35,36)/b31-29-
InChIKey	NGCPMBSZVAIOPH-YCNYHXFESA-N Google Search
Mol Weight	545.61 g/mol
Molecular Formula	C29H27N3O6S
Exact Mass	545.162057 g/mol

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SpectraBase Spectrum ID	Jnfd51ISRkJ
Name	4-({[(2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-(2-phenylethyl)tetrahydro-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/C29H27N3O6S/c1-2-38-28(37)21-10-14-23(15-11-21)31-29-32(17-16-19-6-4-3-5-7-19)25(33)18-24(39-29)26(34)30-22-12-8-20(9-13-22)27(35)36/h3-15,24H,2,16-18H2,1H3,(H,30,34)(H,35,36)/b31-29-
InChIKey	NGCPMBSZVAIOPH-YCNYHXFESA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_2337
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: D02419; Labnumber: MPOL-13089; SBI_ID: SBI-002339
Synonyms	4-({[2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3-(2-phenylethyl)tetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoic acid
Temperature	318 °C