4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[[(4-pyridinylmethyl)amino]carbonyl]amino]-, methyl ester

SpectraBase Compound ID	FQAciTcirXa
InChI	InChI=1S/C16H17N3O3S/c1-22-15(20)13-11-3-2-4-12(11)23-14(13)19-16(21)18-9-10-5-7-17-8-6-10/h5-8H,2-4,9H2,1H3,(H2,18,19,21)
InChIKey	KXYUFPVEFAJJMY-UHFFFAOYSA-N Google Search
Mol Weight	331.39 g/mol
Molecular Formula	C16H17N3O3S
Exact Mass	331.099063 g/mol

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SpectraBase Spectrum ID	KJNB9ZGwd7T
Name	4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[[(4-pyridinylmethyl)amino]carbonyl]amino]-, methyl 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/C16H17N3O3S/c1-22-15(20)13-11-3-2-4-12(11)23-14(13)19-16(21)18-9-10-5-7-17-8-6-10/h5-8H,2-4,9H2,1H3,(H2,18,19,21)
InChIKey	KXYUFPVEFAJJMY-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_5536
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/17211185; Labnumber: ARJ-5628