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

SpectraBase Compound ID	Iy0sPr4JItK
InChI	InChI=1S/C20H27NO5S/c1-5-20(3,4)12-7-8-13-14(11-12)27-18(17(13)19(25)26-6-2)21-15(22)9-10-16(23)24/h9-10,12H,5-8,11H2,1-4H3,(H,21,22)(H,23,24)/b10-9+
InChIKey	MQMHTCJUVXVTBQ-MDZDMXLPSA-N Google Search
Mol Weight	393.5 g/mol
Molecular Formula	C20H27NO5S
Exact Mass	393.160994 g/mol

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SpectraBase Spectrum ID	LueOqEEUh7Y
Name	(2E)-4-{[3-(ethoxycarbonyl)-6-tert-pentyl-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/C20H27NO5S/c1-5-20(3,4)12-7-8-13-14(11-12)27-18(17(13)19(25)26-6-2)21-15(22)9-10-16(23)24/h9-10,12H,5-8,11H2,1-4H3,(H,21,22)(H,23,24)/b10-9+
InChIKey	MQMHTCJUVXVTBQ-MDZDMXLPSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_19811
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/9223147; Labnumber: U_AM_ACK/017816; UZI_ID: UZI-019819
Synonyms	4-{[3-(ethoxycarbonyl)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxo-2-butenoic acid
Temperature	318 °C