ethyl 2-[({[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SpectraBase Compound ID	8jZfBIfRNFM
InChI	InChI=1S/C26H33N5O5S2/c1-5-36-25(34)22-18-9-6-7-10-20(18)38-23(22)28-21(32)15-37-26-27-19(13-17-14-30(3)29-16(17)2)24(33)31(26)11-8-12-35-4/h13-14H,5-12,15H2,1-4H3,(H,28,32)/b19-13+
InChIKey	HMQWYVFRZHCCKE-CPNJWEJPSA-N Google Search
Mol Weight	559.7 g/mol
Molecular Formula	C26H33N5O5S2
Exact Mass	559.192312 g/mol

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SpectraBase Spectrum ID	9m1iM5JVJDr
Name	ethyl 2-[({[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C26H33N5O5S2/c1-5-36-25(34)22-18-9-6-7-10-20(18)38-23(22)28-21(32)15-37-26-27-19(13-17-14-30(3)29-16(17)2)24(33)31(26)11-8-12-35-4/h13-14H,5-12,15H2,1-4H3,(H,28,32)/b19-13+
InChIKey	HMQWYVFRZHCCKE-CPNJWEJPSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11605
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: UZI/1265971; Labnumber: NIV1656; UZI_ID: UZI-011607
Synonyms	ethyl 2-[({[4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	308 °C