(2E)-4-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}-4-oxo-2-butenoic acid

SpectraBase Compound ID	ByYdmivExJU
InChI	InChI=1S/C15H17NO5S/c1-21-15(20)13-9-5-3-2-4-6-10(9)22-14(13)16-11(17)7-8-12(18)19/h7-8H,2-6H2,1H3,(H,16,17)(H,18,19)/b8-7+
InChIKey	DPFGBWHNUMMBNF-BQYQJAHWSA-N Google Search
Mol Weight	323.36 g/mol
Molecular Formula	C15H17NO5S
Exact Mass	323.082744 g/mol

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SpectraBase Spectrum ID	IVfCVmliSbU
Name	(2E)-4-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-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/C15H17NO5S/c1-21-15(20)13-9-5-3-2-4-6-10(9)22-14(13)16-11(17)7-8-12(18)19/h7-8H,2-6H2,1H3,(H,16,17)(H,18,19)/b8-7+
InChIKey	DPFGBWHNUMMBNF-BQYQJAHWSA-N
NMR Offset	16.5281
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_7783
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/9012876; UBI_ID: UBI-007786
Synonyms	4-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}-4-oxo-2-butenoic acid
Temperature	308 °C