4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2-[[4-(2-methoxyphenyl)-5-[[(phenoxyacetyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-, ethyl ester

SpectraBase Compound ID	JlluXKADSJf
InChI	InChI=1S/C31H33N5O6S2/c1-4-41-30(39)27-21-13-10-16-24(21)44-29(27)33-28(38)19(2)43-31-35-34-25(36(31)22-14-8-9-15-23(22)40-3)17-32-26(37)18-42-20-11-6-5-7-12-20/h5-9,11-12,14-15,19H,4,10,13,16-18H2,1-3H3,(H,32,37)(H,33,38)
InChIKey	RCUCNEOHAGRSLG-UHFFFAOYSA-N Google Search
Mol Weight	635.8 g/mol
Molecular Formula	C31H33N5O6S2
Exact Mass	635.187226 g/mol

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SpectraBase Spectrum ID	LOVC2Y81H7z
Name	4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[2-[[4-(2-methoxyphenyl)-5-[[(phenoxyacetyl)amino]methyl]-4H-1,2,4-triazol-3-yl]thio]-1-oxopropyl]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/C31H33N5O6S2/c1-4-41-30(39)27-21-13-10-16-24(21)44-29(27)33-28(38)19(2)43-31-35-34-25(36(31)22-14-8-9-15-23(22)40-3)17-32-26(37)18-42-20-11-6-5-7-12-20/h5-9,11-12,14-15,19H,4,10,13,16-18H2,1-3H3,(H,32,37)(H,33,38)
InChIKey	RCUCNEOHAGRSLG-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_6695
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/10278707