2-{(5Z)-5-[(1-methyl-1H-indol-3-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid

SpectraBase Compound ID	43mgBFhS4j6
InChI	InChI=1S/C18H16N2O5S2/c1-19-9-10(11-4-2-3-5-12(11)19)8-14-16(23)20(18(26)27-14)13(17(24)25)6-7-15(21)22/h2-5,8-9,13H,6-7H2,1H3,(H,21,22)(H,24,25)/b14-8-
InChIKey	YYONBJMERXAXBK-ZSOIEALJSA-N Google Search
Mol Weight	404.46 g/mol
Molecular Formula	C18H16N2O5S2
Exact Mass	404.050064 g/mol

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SpectraBase Spectrum ID	HPMXSITVBjI
Name	2-{(5Z)-5-[(1-methyl-1H-indol-3-yl)methylene]-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/C18H16N2O5S2/c1-19-9-10(11-4-2-3-5-12(11)19)8-14-16(23)20(18(26)27-14)13(17(24)25)6-7-15(21)22/h2-5,8-9,13H,6-7H2,1H3,(H,21,22)(H,24,25)/b14-8-
InChIKey	YYONBJMERXAXBK-ZSOIEALJSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_20908
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: D51077; Labnumber: GORPS-013-4937; SBI_ID: SBI-020912
Synonyms	2-{5-[(1-methyl-1H-indol-3-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid
Temperature	308 °C