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

SpectraBase Compound ID	6oqDQFeATHc
InChI	InChI=1S/C30H30FN5O4S2/c1-2-40-29(39)26-21-13-7-9-15-23(21)42-28(26)33-25(37)18-41-30-35-34-24(36(30)17-19-10-4-3-5-11-19)16-32-27(38)20-12-6-8-14-22(20)31/h3-6,8,10-12,14H,2,7,9,13,15-18H2,1H3,(H,32,38)(H,33,37)
InChIKey	RVBDISMJSKCWHV-UHFFFAOYSA-N Google Search
Mol Weight	607.72 g/mol
Molecular Formula	C30H30FN5O4S2
Exact Mass	607.172325 g/mol

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SpectraBase Spectrum ID	9YEHIEenyWr
Name	benzo[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(phenylmethyl)-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/C30H30FN5O4S2/c1-2-40-29(39)26-21-13-7-9-15-23(21)42-28(26)33-25(37)18-41-30-35-34-24(36(30)17-19-10-4-3-5-11-19)16-32-27(38)20-12-6-8-14-22(20)31/h3-6,8,10-12,14H,2,7,9,13,15-18H2,1H3,(H,32,38)(H,33,37)
InChIKey	RVBDISMJSKCWHV-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_6692
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/10278704