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

SpectraBase Compound ID	IbVohM7j8iy
InChI	InChI=1S/C27H22N4O3S/c1-3-34-26(33)19-13-15-20(16-14-19)28-17(2)23-24(18-9-5-4-6-10-18)30-31(25(23)32)27-29-21-11-7-8-12-22(21)35-27/h4-16,28H,3H2,1-2H3/b23-17+
InChIKey	CFXRKJQKMZYHQS-HAVVHWLPSA-N Google Search
Mol Weight	482.56 g/mol
Molecular Formula	C27H22N4O3S
Exact Mass	482.141262 g/mol

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SpectraBase Spectrum ID	2Zsbd28HK3B
Name	ethyl 4-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-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/C27H22N4O3S/c1-3-34-26(33)19-13-15-20(16-14-19)28-17(2)23-24(18-9-5-4-6-10-18)30-31(25(23)32)27-29-21-11-7-8-12-22(21)35-27/h4-16,28H,3H2,1-2H3/b23-17+
InChIKey	CFXRKJQKMZYHQS-HAVVHWLPSA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_6581
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: 62954; UBI_ID: UBI-006583
Synonyms	ethyl 4-({1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate
Temperature	313 °C