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

SpectraBase Compound ID	ADK4GPHjejH
InChI	InChI=1S/C13H14N2O6S/c1-3-21-13(20)9-6(2)10(11(14)19)22-12(9)15-7(16)4-5-8(17)18/h4-5H,3H2,1-2H3,(H2,14,19)(H,15,16)(H,17,18)/b5-4+
InChIKey	ZIGPDMRDUJEEOM-SNAWJCMRSA-N Google Search
Mol Weight	326.32 g/mol
Molecular Formula	C13H14N2O6S
Exact Mass	326.057257 g/mol

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SpectraBase Spectrum ID	IVhgAt7Dhst
Name	(2E)-4-{[5-(aminocarbonyl)-3-(ethoxycarbonyl)-4-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/C13H14N2O6S/c1-3-21-13(20)9-6(2)10(11(14)19)22-12(9)15-7(16)4-5-8(17)18/h4-5H,3H2,1-2H3,(H2,14,19)(H,15,16)(H,17,18)/b5-4+
InChIKey	ZIGPDMRDUJEEOM-SNAWJCMRSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_17680
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/9065080; UBI_ID: UBI-017683
Synonyms	4-{[5-(aminocarbonyl)-3-(ethoxycarbonyl)-4-methyl-2-thienyl]amino}-4-oxo-2-butenoic acid
Temperature	318 °C