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

SpectraBase Compound ID	KUqk7TSd1el
InChI	InChI=1S/C26H33N5O4S2/c1-15(2)12-31-24(33)19(10-17-11-27-30(5)13-17)28-26(31)36-14-21(32)29-23-22(25(34)35-16(3)4)18-8-6-7-9-20(18)37-23/h10-11,13,15-16H,6-9,12,14H2,1-5H3,(H,29,32)/b19-10+
InChIKey	WALLDFKUSFHGNW-VXLYETTFSA-N Google Search
Mol Weight	543.7 g/mol
Molecular Formula	C26H33N5O4S2
Exact Mass	543.197397 g/mol

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SpectraBase Spectrum ID	O5vjBuDDiL
Name	isopropyl 2-{[({(4E)-1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-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/C26H33N5O4S2/c1-15(2)12-31-24(33)19(10-17-11-27-30(5)13-17)28-26(31)36-14-21(32)29-23-22(25(34)35-16(3)4)18-8-6-7-9-20(18)37-23/h10-11,13,15-16H,6-9,12,14H2,1-5H3,(H,29,32)/b19-10+
InChIKey	WALLDFKUSFHGNW-VXLYETTFSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11579
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/1265688; Labnumber: NIV1617; UZI_ID: UZI-011581
Synonyms	isopropyl 2-{[({1-isobutyl-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	308 °C