4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[[(4-nitrobenzoyl)amino]carbonothioyl]amino]-, ethyl ester

SpectraBase Compound ID	BjB2q5MoPT1
InChI	InChI=1S/C18H17N3O5S2/c1-2-26-17(23)14-12-4-3-5-13(12)28-16(14)20-18(27)19-15(22)10-6-8-11(9-7-10)21(24)25/h6-9H,2-5H2,1H3,(H2,19,20,22,27)
InChIKey	LGDYHZGGDFTWSK-UHFFFAOYSA-N Google Search
Mol Weight	419.47 g/mol
Molecular Formula	C18H17N3O5S2
Exact Mass	419.060963 g/mol

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SpectraBase Spectrum ID	GlqjePab3CL
Name	4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[[(4-nitrobenzoyl)amino]carbonothioyl]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/C18H17N3O5S2/c1-2-26-17(23)14-12-4-3-5-13(12)28-16(14)20-18(27)19-15(22)10-6-8-11(9-7-10)21(24)25/h6-9H,2-5H2,1H3,(H2,19,20,22,27)
InChIKey	LGDYHZGGDFTWSK-UHFFFAOYSA-N
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_3121
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/10228912