(2E)-4-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thien-2-yl]amino}-4-oxo-2-butenoic acid

SpectraBase Compound ID	Ail5m3pQju0
InChI	InChI=1S/C18H23NO5S/c1-2-24-18(23)16-12-8-6-4-3-5-7-9-13(12)25-17(16)19-14(20)10-11-15(21)22/h10-11H,2-9H2,1H3,(H,19,20)(H,21,22)/b11-10+
InChIKey	ABHGPJZXPWCECR-ZHACJKMWSA-N Google Search
Mol Weight	365.44 g/mol
Molecular Formula	C18H23NO5S
Exact Mass	365.129694 g/mol

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SpectraBase Spectrum ID	HtvBfXd0tw8
Name	(2E)-4-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[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/C18H23NO5S/c1-2-24-18(23)16-12-8-6-4-3-5-7-9-13(12)25-17(16)19-14(20)10-11-15(21)22/h10-11H,2-9H2,1H3,(H,19,20)(H,21,22)/b11-10+
InChIKey	ABHGPJZXPWCECR-ZHACJKMWSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_15033
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/1022938; UBI_ID: UBI-015036
Synonyms	4-{[3-(ethoxycarbonyl)-5,6,7,8,9,10-hexahydro-4H-cyclonona[b]thien-2-yl]amino}-4-oxo-2-butenoic acid
Temperature	318 °C