2-[3-(3-Chloro-phenyl)-ureido]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester

SpectraBase Compound ID	43MNupvbTWN
InChI	InChI=1S/C17H17ClN2O3S/c1-23-16(21)14-12-7-2-3-8-13(12)24-15(14)20-17(22)19-11-6-4-5-10(18)9-11/h4-6,9H,2-3,7-8H2,1H3,(H2,19,20,22)
InChIKey	ALNNRTDZTKNXBV-UHFFFAOYSA-N Google Search
Mol Weight	364.85 g/mol
Molecular Formula	C17H17ClN2O3S
Exact Mass	364.064841 g/mol

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SpectraBase Spectrum ID	GIun8ZIItqT
Name	methyl 2-{[(3-chloroanilino)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C17H17ClN2O3S/c1-23-16(21)14-12-7-2-3-8-13(12)24-15(14)20-17(22)19-11-6-4-5-10(18)9-11/h4-6,9H,2-3,7-8H2,1H3,(H2,19,20,22)
InChIKey	ALNNRTDZTKNXBV-UHFFFAOYSA-N
NMR Offset	17.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_2665
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/9264103; Labnumber: AU-EC00872