methyl 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}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SpectraBase Compound ID	1p6BCEBrKee
InChI	InChI=1S/C23H27N5O4S2/c1-5-28-21(30)16(10-14-11-24-27(3)13(14)2)25-23(28)33-12-18(29)26-20-19(22(31)32-4)15-8-6-7-9-17(15)34-20/h10-11H,5-9,12H2,1-4H3,(H,26,29)/b16-10+
InChIKey	XCLKQRWQXGDOJI-MHWRWJLKSA-N Google Search
Mol Weight	501.62 g/mol
Molecular Formula	C23H27N5O4S2
Exact Mass	501.150447 g/mol

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SpectraBase Spectrum ID	GANsjpuVBzI
Name	methyl 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}-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/C23H27N5O4S2/c1-5-28-21(30)16(10-14-11-24-27(3)13(14)2)25-23(28)33-12-18(29)26-20-19(22(31)32-4)15-8-6-7-9-17(15)34-20/h10-11H,5-9,12H2,1-4H3,(H,26,29)/b16-10+
InChIKey	XCLKQRWQXGDOJI-MHWRWJLKSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11448
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/1263556; Labnumber: NIV1297; UZI_ID: UZI-011450
Synonyms	methyl 2-{[({4-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	308 °C