(2E)-4-{[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-4-oxo-2-butenoic acid

SpectraBase Compound ID	C3isakzVmfw
InChI	InChI=1S/C20H21NO5S/c1-5-26-20(25)18-17(14-7-6-11(2)12(3)10-14)13(4)27-19(18)21-15(22)8-9-16(23)24/h6-10H,5H2,1-4H3,(H,21,22)(H,23,24)/b9-8+
InChIKey	MGXNSIJLIBPALG-CMDGGOBGSA-N Google Search
Mol Weight	387.45 g/mol
Molecular Formula	C20H21NO5S
Exact Mass	387.114044 g/mol

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SpectraBase Spectrum ID	3qq5IARLNwz
Name	(2E)-4-{[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-4-oxo-2-butenoic 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/C20H21NO5S/c1-5-26-20(25)18-17(14-7-6-11(2)12(3)10-14)13(4)27-19(18)21-15(22)8-9-16(23)24/h6-10H,5H2,1-4H3,(H,21,22)(H,23,24)/b9-8+
InChIKey	MGXNSIJLIBPALG-CMDGGOBGSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_15146
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: UZI/9123400; Labnumber: NSB-0096058; UZI_ID: UZI-015150
Synonyms	4-{[4-(3,4-dimethylphenyl)-3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}-4-oxo-2-butenoic acid
Temperature	318 °C