3-((2E)-2-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-benzothiazol-3(2H)-yl)-1-propanesulfonate

SpectraBase Compound ID	2XlgDu9s9gJ
InChI	InChI=1S/C15H14N2O6S4/c18-11(19)8-17-13(20)12(26-15(17)24)14-16(6-3-7-27(21,22)23)9-4-1-2-5-10(9)25-14/h1-2,4-5H,3,6-8H2,(H,18,19)(H,21,22,23)/p-1/b14-12+
InChIKey	WIJGQRQJXZNHFY-WYMLVPIESA-M Google Search
Mol Weight	445.5 g/mol
Molecular Formula	C15H13N2O6S4
Exact Mass	444.965646 g/mol

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SpectraBase Spectrum ID	7yBJZrQwZ2b
Name	3-((2E)-2-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-benzothiazol-3(2H)-yl)-1-propanesulfonate
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/C15H14N2O6S4/c18-11(19)8-17-13(20)12(26-15(17)24)14-16(6-3-7-27(21,22)23)9-4-1-2-5-10(9)25-14/h1-2,4-5H,3,6-8H2,(H,18,19)(H,21,22,23)/p-1/b14-12+
InChIKey	WIJGQRQJXZNHFY-WYMLVPIESA-M
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_ASIOH_7000_4370
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: ZI/8073909; Labnumber: TOK-gpt1708; IOH_ID: IOH-004371
Synonyms	3-(2-[3-(carboxymethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-benzothiazol-3(2H)-yl)-1-propanesulfonate
Temperature	303 °C