4-[({(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid

SpectraBase Compound ID	CUbMGwyDtBY
InChI	InChI=1S/C28H25N3O7S/c1-2-36-21-10-8-20(9-11-21)30-28-31(15-17-3-12-22-23(13-17)38-16-37-22)25(32)14-24(39-28)26(33)29-19-6-4-18(5-7-19)27(34)35/h3-13,24H,2,14-16H2,1H3,(H,29,33)(H,34,35)/b30-28-
InChIKey	BNJIJDBYYNSOOH-HYOGKJQXSA-N Google Search
Mol Weight	547.58 g/mol
Molecular Formula	C28H25N3O7S
Exact Mass	547.141321 g/mol

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SpectraBase Spectrum ID	4L1BB1aSvd2
Name	4-[({(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)imino]-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/C28H25N3O7S/c1-2-36-21-10-8-20(9-11-21)30-28-31(15-17-3-12-22-23(13-17)38-16-37-22)25(32)14-24(39-28)26(33)29-19-6-4-18(5-7-19)27(34)35/h3-13,24H,2,14-16H2,1H3,(H,29,33)(H,34,35)/b30-28-
InChIKey	BNJIJDBYYNSOOH-HYOGKJQXSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_2385
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: D02473; Labnumber: MPOL-14426; SBI_ID: SBI-002387
Synonyms	4-[({3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethoxyphenyl)imino]-4-oxotetrahydro-2H-1,3-thiazin-6-yl}carbonyl)amino]benzoic acid
Temperature	303 °C