benzo[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-, ethyl ester

SpectraBase Compound ID	1CdZcrkZ9Ex
InChI	InChI=1S/C31H32FN5O6S2/c1-4-43-30(40)27-21-7-5-6-8-24(21)45-29(27)34-26(38)17-44-31-36-35-25(37(31)20-12-10-19(32)11-13-20)16-33-28(39)18-9-14-22(41-2)23(15-18)42-3/h9-15H,4-8,16-17H2,1-3H3,(H,33,39)(H,34,38)
InChIKey	PSZGGNIDYCMGDG-UHFFFAOYSA-N Google Search
Mol Weight	653.7 g/mol
Molecular Formula	C31H32FN5O6S2
Exact Mass	653.177804 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	KzOucLK031w
Name	benzo[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(3,4-dimethoxybenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydro-, 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/C31H32FN5O6S2/c1-4-43-30(40)27-21-7-5-6-8-24(21)45-29(27)34-26(38)17-44-31-36-35-25(37(31)20-12-10-19(32)11-13-20)16-33-28(39)18-9-14-22(41-2)23(15-18)42-3/h9-15H,4-8,16-17H2,1-3H3,(H,33,39)(H,34,38)
InChIKey	PSZGGNIDYCMGDG-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_6673
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/10278684