2-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid

SpectraBase Compound ID	5SRLkqegBZz
InChI	InChI=1S/C18H19NO7S2/c1-3-26-12-6-4-10(8-13(12)25-2)9-14-16(22)19(18(27)28-14)11(17(23)24)5-7-15(20)21/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,20,21)(H,23,24)/b14-9-
InChIKey	JFGFDIIAGKTZJU-ZROIWOOFSA-N Google Search
Mol Weight	425.47 g/mol
Molecular Formula	C18H19NO7S2
Exact Mass	425.060294 g/mol

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SpectraBase Spectrum ID	C4JciHapqB8
Name	2-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic 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/C18H19NO7S2/c1-3-26-12-6-4-10(8-13(12)25-2)9-14-16(22)19(18(27)28-14)11(17(23)24)5-7-15(20)21/h4,6,8-9,11H,3,5,7H2,1-2H3,(H,20,21)(H,23,24)/b14-9-
InChIKey	JFGFDIIAGKTZJU-ZROIWOOFSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_23727
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: D43252; Labnumber: GORPS-013-5071; SBI_ID: SBI-023731
Synonyms	2-[5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid
Temperature	318 °C