[(5E)-5-(2-chloro-5-ethoxy-4-isopropoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid

SpectraBase Compound ID	BQ9Eh1Ym7jv
InChI	InChI=1S/C17H18ClNO5S2/c1-4-23-12-5-10(11(18)7-13(12)24-9(2)3)6-14-16(22)19(8-15(20)21)17(25)26-14/h5-7,9H,4,8H2,1-3H3,(H,20,21)/b14-6+
InChIKey	MRYKLJBUCQTZPV-MKMNVTDBSA-N Google Search
Mol Weight	415.91 g/mol
Molecular Formula	C17H18ClNO5S2
Exact Mass	415.031493 g/mol

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SpectraBase Spectrum ID	JWteHUVx1Ne
Name	[(5E)-5-(2-chloro-5-ethoxy-4-isopropoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic 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/C17H18ClNO5S2/c1-4-23-12-5-10(11(18)7-13(12)24-9(2)3)6-14-16(22)19(8-15(20)21)17(25)26-14/h5-7,9H,4,8H2,1-3H3,(H,20,21)/b14-6+
InChIKey	MRYKLJBUCQTZPV-MKMNVTDBSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_29918
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: 1417139; SBI_ID: SBI-029922
Synonyms	[5-(2-chloro-5-ethoxy-4-isopropoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Temperature	315 °C