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

SpectraBase Compound ID	7DBERQw9Lv7
InChI	InChI=1S/C30H33N5O4S2/c1-5-19-12-13-22-24(14-19)41-27(26(22)29(38)39-6-2)32-25(36)17-40-30-31-23(15-20-16-34(4)33-18(20)3)28(37)35(30)21-10-8-7-9-11-21/h7-11,15-16,19H,5-6,12-14,17H2,1-4H3,(H,32,36)/b23-15+
InChIKey	FIQYTOBOONSKGL-HZHRSRAPSA-N Google Search
Mol Weight	591.7 g/mol
Molecular Formula	C30H33N5O4S2
Exact Mass	591.197397 g/mol

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SpectraBase Spectrum ID	5Jk6bKua0zR
Name	ethyl 2-{[({(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-6-ethyl-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/C30H33N5O4S2/c1-5-19-12-13-22-24(14-19)41-27(26(22)29(38)39-6-2)32-25(36)17-40-30-31-23(15-20-16-34(4)33-18(20)3)28(37)35(30)21-10-8-7-9-11-21/h7-11,15-16,19H,5-6,12-14,17H2,1-4H3,(H,32,36)/b23-15+
InChIKey	FIQYTOBOONSKGL-HZHRSRAPSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11615
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/1266108; Labnumber: NIV1667; UZI_ID: UZI-011617
Synonyms	ethyl 2-{[({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	308 °C