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

SpectraBase Compound ID	GUEvFPHN50W
InChI	InChI=1S/C17H17NO7S2/c1-24-11-5-3-4-9(14(11)25-2)8-12-15(21)18(17(26)27-12)10(16(22)23)6-7-13(19)20/h3-5,8,10H,6-7H2,1-2H3,(H,19,20)(H,22,23)/b12-8-
InChIKey	HQFKWXGICVXXDA-WQLSENKSSA-N Google Search
Mol Weight	411.44 g/mol
Molecular Formula	C17H17NO7S2
Exact Mass	411.044644 g/mol

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SpectraBase Spectrum ID	Ju5xuHPFlwl
Name	2-[(5Z)-5-(2,3-dimethoxybenzylidene)-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/C17H17NO7S2/c1-24-11-5-3-4-9(14(11)25-2)8-12-15(21)18(17(26)27-12)10(16(22)23)6-7-13(19)20/h3-5,8,10H,6-7H2,1-2H3,(H,19,20)(H,22,23)/b12-8-
InChIKey	HQFKWXGICVXXDA-WQLSENKSSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_23725
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: D43250; Labnumber: GORPS-013-4706; SBI_ID: SBI-023729
Synonyms	2-[5-(2,3-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid
Temperature	318 °C