ethyl 6-ethyl-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	LPEhouen3kV
InChI	InChI=1S/C27H35N5O4S2/c1-6-17-8-9-19-21(11-17)38-24(23(19)26(35)36-7-2)30-22(33)15-37-27-29-20(10-18-12-28-31(5)14-18)25(34)32(27)13-16(3)4/h10,12,14,16-17H,6-9,11,13,15H2,1-5H3,(H,30,33)/b20-10+
InChIKey	KIHACNDRULYPOW-KEBDBYFISA-N Google Search
Mol Weight	557.7 g/mol
Molecular Formula	C27H35N5O4S2
Exact Mass	557.213047 g/mol

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SpectraBase Spectrum ID	IqOon60b2lj
Name	ethyl 6-ethyl-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/C27H35N5O4S2/c1-6-17-8-9-19-21(11-17)38-24(23(19)26(35)36-7-2)30-22(33)15-37-27-29-20(10-18-12-28-31(5)14-18)25(34)32(27)13-16(3)4/h10,12,14,16-17H,6-9,11,13,15H2,1-5H3,(H,30,33)/b20-10+
InChIKey	KIHACNDRULYPOW-KEBDBYFISA-N
NMR Offset	17.1563
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11583
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/1267009; Labnumber: NIV1623; UZI_ID: UZI-011585
Synonyms	ethyl 6-ethyl-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