(2E)-4-{[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxo-2-butenoic acid

SpectraBase Compound ID	JFqJMGJJ0On
InChI	InChI=1S/C16H19NO5S/c1-9(2)22-16(21)14-10-5-3-4-6-11(10)23-15(14)17-12(18)7-8-13(19)20/h7-9H,3-6H2,1-2H3,(H,17,18)(H,19,20)/b8-7+
InChIKey	RDHZBOXRWMMXGI-BQYQJAHWSA-N Google Search
Mol Weight	337.39 g/mol
Molecular Formula	C16H19NO5S
Exact Mass	337.098394 g/mol

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SpectraBase Spectrum ID	3BvuUFo9B7V
Name	(2E)-4-{[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]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/C16H19NO5S/c1-9(2)22-16(21)14-10-5-3-4-6-11(10)23-15(14)17-12(18)7-8-13(19)20/h7-9H,3-6H2,1-2H3,(H,17,18)(H,19,20)/b8-7+
InChIKey	RDHZBOXRWMMXGI-BQYQJAHWSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16793
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/8182036; UBI_ID: UBI-016796
Synonyms	4-{[3-(isopropoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxo-2-butenoic acid
Temperature	318 °C