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

SpectraBase Compound ID	tamxZ64DJm
InChI	InChI=1S/C28H25N3O5S2/c1-2-36-27(33)25-24(20-9-4-3-5-10-20)29-28(37-25)30-26(32)21-12-14-23(15-13-21)38(34,35)31-17-16-19-8-6-7-11-22(19)18-31/h3-15H,2,16-18H2,1H3,(H,29,30,32)
InChIKey	NSABXUCQUIQASK-UHFFFAOYSA-N Google Search
Mol Weight	547.64 g/mol
Molecular Formula	C28H25N3O5S2
Exact Mass	547.123563 g/mol

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SpectraBase Spectrum ID	HigAxKvbBgh
Name	5-thiazolecarboxylic acid, 2-[[4-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]benzoyl]amino]-4-phenyl-, 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/C28H25N3O5S2/c1-2-36-27(33)25-24(20-9-4-3-5-10-20)29-28(37-25)30-26(32)21-12-14-23(15-13-21)38(34,35)31-17-16-19-8-6-7-11-22(19)18-31/h3-15H,2,16-18H2,1H3,(H,29,30,32)
InChIKey	NSABXUCQUIQASK-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_5612
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/10257330; Labnumber: F0473-0263