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

SpectraBase Compound ID	GmU7lELonGx
InChI	InChI=1S/C15H16N2O3S/c1-2-9-3-4-10-11(8-16)15(21-12(10)7-9)17-13(18)5-6-14(19)20/h5-6,9H,2-4,7H2,1H3,(H,17,18)(H,19,20)/b6-5+
InChIKey	KBEMPPDUIDFFHB-AATRIKPKSA-N Google Search
Mol Weight	304.36 g/mol
Molecular Formula	C15H16N2O3S
Exact Mass	304.088164 g/mol

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SpectraBase Spectrum ID	CsWnR7pUKsD
Name	(2E)-4-[(3-cyano-6-ethyl-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/C15H16N2O3S/c1-2-9-3-4-10-11(8-16)15(21-12(10)7-9)17-13(18)5-6-14(19)20/h5-6,9H,2-4,7H2,1H3,(H,17,18)(H,19,20)/b6-5+
InChIKey	KBEMPPDUIDFFHB-AATRIKPKSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_16528
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/8131653; UBI_ID: UBI-016531
Synonyms	4-[(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-4-oxo-2-butenoic acid
Temperature	318 °C