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

SpectraBase Compound ID	RPPuaCixrW
InChI	InChI=1S/C28H25F2N5O4S2/c1-2-39-27(38)24-19-7-5-9-21(19)41-26(24)32-23(36)15-40-28-34-33-22(35(28)17-12-10-16(29)11-13-17)14-31-25(37)18-6-3-4-8-20(18)30/h3-4,6,8,10-13H,2,5,7,9,14-15H2,1H3,(H,31,37)(H,32,36)
InChIKey	YEIJUXNJGCSQBU-UHFFFAOYSA-N Google Search
Mol Weight	597.66 g/mol
Molecular Formula	C28H25F2N5O4S2
Exact Mass	597.131603 g/mol

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SpectraBase Spectrum ID	AjPxvKTAnyf
Name	4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[[5-[[(2-fluorobenzoyl)amino]methyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-, 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/C28H25F2N5O4S2/c1-2-39-27(38)24-19-7-5-9-21(19)41-26(24)32-23(36)15-40-28-34-33-22(35(28)17-12-10-16(29)11-13-17)14-31-25(37)18-6-3-4-8-20(18)30/h3-4,6,8,10-13H,2,5,7,9,14-15H2,1H3,(H,31,37)(H,32,36)
InChIKey	YEIJUXNJGCSQBU-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_6686
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/10278697