3-thiophenecarboxylic acid, 4-phenyl-2-[[([1,2,4]triazolo[3,4-b]benzothiazol-3-ylthio)acetyl]amino]-, methyl ester

SpectraBase Compound ID	BRuVocC4tWs
InChI	InChI=1S/C22H16N4O3S3/c1-29-20(28)18-14(13-7-3-2-4-8-13)11-30-19(18)23-17(27)12-31-21-24-25-22-26(21)15-9-5-6-10-16(15)32-22/h2-11H,12H2,1H3,(H,23,27)
InChIKey	ZIAGWGJCYWXZST-UHFFFAOYSA-N Google Search
Mol Weight	480.58 g/mol
Molecular Formula	C22H16N4O3S3
Exact Mass	480.038454 g/mol

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SpectraBase Spectrum ID	J7Rv5XJfKVZ
Name	3-thiophenecarboxylic acid, 4-phenyl-2-[[([1,2,4]triazolo[3,4-b]benzothiazol-3-ylthio)acetyl]amino]-, methyl ester
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/C22H16N4O3S3/c1-29-20(28)18-14(13-7-3-2-4-8-13)11-30-19(18)23-17(27)12-31-21-24-25-22-26(21)15-9-5-6-10-16(15)32-22/h2-11H,12H2,1H3,(H,23,27)
InChIKey	ZIAGWGJCYWXZST-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_285
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: NMR/11219987