4-(methylsulfanyl)-2-[(5Z)-4-oxo-5-(2-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid

SpectraBase Compound ID	2NpBEWqrdED
InChI	InChI=1S/C14H14N2O3S3/c1-21-7-5-10(13(18)19)16-12(17)11(22-14(16)20)8-9-4-2-3-6-15-9/h2-4,6,8,10H,5,7H2,1H3,(H,18,19)/b11-8-
InChIKey	ZOTRGBRZFLKMPB-FLIBITNWSA-N Google Search
Mol Weight	354.46 g/mol
Molecular Formula	C14H14N2O3S3
Exact Mass	354.016656 g/mol

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SpectraBase Spectrum ID	3dbop2q3puL
Name	4-(methylsulfanyl)-2-[(5Z)-4-oxo-5-(2-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]butanoic 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/C14H14N2O3S3/c1-21-7-5-10(13(18)19)16-12(17)11(22-14(16)20)8-9-4-2-3-6-15-9/h2-4,6,8,10H,5,7H2,1H3,(H,18,19)/b11-8-
InChIKey	ZOTRGBRZFLKMPB-FLIBITNWSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_27712
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: D71267; Labnumber: GORPS-010-1746; SBI_ID: SBI-027716
Synonyms	4-(methylsulfanyl)-2-[4-oxo-5-(2-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Temperature	306 °C