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-dimethyl-3-thiophenecarboxylate

SpectraBase Compound ID	Cy1x1FjFoPU
InChI	InChI=1S/C23H29N5O4S2/c1-7-32-22(31)19-14(4)15(5)34-20(19)26-18(29)12-33-23-25-17(8-16-9-24-27(6)11-16)21(30)28(23)10-13(2)3/h8-9,11,13H,7,10,12H2,1-6H3,(H,26,29)/b17-8+
InChIKey	NXLYXWJEDCTTMI-CAOOACKPSA-N Google Search
Mol Weight	503.64 g/mol
Molecular Formula	C23H29N5O4S2
Exact Mass	503.166097 g/mol

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SpectraBase Spectrum ID	EBCCYny1kBd
Name	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-dimethyl-3-thiophenecarboxylate
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/C23H29N5O4S2/c1-7-32-22(31)19-14(4)15(5)34-20(19)26-18(29)12-33-23-25-17(8-16-9-24-27(6)11-16)21(30)28(23)10-13(2)3/h8-9,11,13H,7,10,12H2,1-6H3,(H,26,29)/b17-8+
InChIKey	NXLYXWJEDCTTMI-CAOOACKPSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11580
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/1268067; Labnumber: NIV1618; UZI_ID: UZI-011582
Synonyms	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-dimethyl-3-thiophenecarboxylate
Temperature	313 °C