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

SpectraBase Compound ID	49n3D2E1YQb
InChI	InChI=1S/C26H33N5O4S2/c1-6-16-9-10-18-20(11-16)37-23(22(18)25(34)35-8-3)29-21(32)14-36-26-28-19(24(33)31(26)7-2)12-17-13-27-30(5)15(17)4/h12-13,16H,6-11,14H2,1-5H3,(H,29,32)/b19-12+
InChIKey	MJZHFVSEEGLVBK-XDHOZWIPSA-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	FJf6MMJAwvP
Name	ethyl 2-{[({(4E)-4-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-1-ethyl-5-oxo-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/C26H33N5O4S2/c1-6-16-9-10-18-20(11-16)37-23(22(18)25(34)35-8-3)29-21(32)14-36-26-28-19(24(33)31(26)7-2)12-17-13-27-30(5)15(17)4/h12-13,16H,6-11,14H2,1-5H3,(H,29,32)/b19-12+
InChIKey	MJZHFVSEEGLVBK-XDHOZWIPSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11451
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/1263311; Labnumber: NIV1305; UZI_ID: UZI-011453
Synonyms	ethyl 2-{[({4-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	308 °C