methyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate

SpectraBase Compound ID	GoGaiUeElOc
InChI	InChI=1S/C21H18N4O3S/c1-12(22-15-9-5-4-8-14(15)20(27)28-3)18-13(2)24-25(19(18)26)21-23-16-10-6-7-11-17(16)29-21/h4-11,22H,1-3H3/b18-12+
InChIKey	ITBRMAOZGONTOB-LDADJPATSA-N Google Search
Mol Weight	406.46 g/mol
Molecular Formula	C21H18N4O3S
Exact Mass	406.109962 g/mol

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SpectraBase Spectrum ID	6QOCZmD6DK7
Name	methyl 2-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
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/C21H18N4O3S/c1-12(22-15-9-5-4-8-14(15)20(27)28-3)18-13(2)24-25(19(18)26)21-23-16-10-6-7-11-17(16)29-21/h4-11,22H,1-3H3/b18-12+
InChIKey	ITBRMAOZGONTOB-LDADJPATSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_29169
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: D91276; Labnumber: VGU-22915; SBI_ID: SBI-029173
Synonyms	methyl 2-({1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
Temperature	318 °C