4-thiazoleacetic acid, 2-[[4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]benzoyl]amino]-, ethyl ester

SpectraBase Compound ID	3kw78mXBenq
InChI	InChI=1S/C23H23N3O5S2/c1-2-31-21(27)13-19-15-32-23(24-19)25-22(28)17-7-9-20(10-8-17)33(29,30)26-12-11-16-5-3-4-6-18(16)14-26/h3-10,15H,2,11-14H2,1H3,(H,24,25,28)
InChIKey	XBESMPCDPDWMHL-UHFFFAOYSA-N Google Search
Mol Weight	485.57 g/mol
Molecular Formula	C23H23N3O5S2
Exact Mass	485.107913 g/mol

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SpectraBase Spectrum ID	1oeQQcaRsMi
Name	4-thiazoleacetic acid, 2-[[4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]benzoyl]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/C23H23N3O5S2/c1-2-31-21(27)13-19-15-32-23(24-19)25-22(28)17-7-9-20(10-8-17)33(29,30)26-12-11-16-5-3-4-6-18(16)14-26/h3-10,15H,2,11-14H2,1H3,(H,24,25,28)
InChIKey	XBESMPCDPDWMHL-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_5611
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/10257329; Labnumber: F0473-0256