4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[[(4-methyl-2-quinolinyl)thio]acetyl]amino]-, ethyl ester

SpectraBase Compound ID	I6KRcnZdLum
InChI	InChI=1S/C22H22N2O3S2/c1-3-27-22(26)20-15-8-6-10-17(15)29-21(20)24-18(25)12-28-19-11-13(2)14-7-4-5-9-16(14)23-19/h4-5,7,9,11H,3,6,8,10,12H2,1-2H3,(H,24,25)
InChIKey	JTOLVEZNRIAMCN-UHFFFAOYSA-N Google Search
Mol Weight	426.55 g/mol
Molecular Formula	C22H22N2O3S2
Exact Mass	426.107185 g/mol

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SpectraBase Spectrum ID	CNqLkqmFGwR
Name	4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[[(4-methyl-2-quinolinyl)thio]acetyl]amino]-, ethyl ester
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/C22H22N2O3S2/c1-3-27-22(26)20-15-8-6-10-17(15)29-21(20)24-18(25)12-28-19-11-13(2)14-7-4-5-9-16(14)23-19/h4-5,7,9,11H,3,6,8,10,12H2,1-2H3,(H,24,25)
InChIKey	JTOLVEZNRIAMCN-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_246
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: NMR/11219939