ethyl 2-{[({(4E)-1-(3-methoxypropyl)-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	5OtshQrzVmr
InChI	InChI=1S/C23H29N5O5S2/c1-6-33-22(31)19-14(2)15(3)35-20(19)26-18(29)13-34-23-25-17(10-16-11-24-27(4)12-16)21(30)28(23)8-7-9-32-5/h10-12H,6-9,13H2,1-5H3,(H,26,29)/b17-10+
InChIKey	OTSVSQIATXJJTJ-LICLKQGHSA-N Google Search
Mol Weight	519.64 g/mol
Molecular Formula	C23H29N5O5S2
Exact Mass	519.161011 g/mol

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SpectraBase Spectrum ID	9lZDq1Lkvxx
Name	ethyl 2-{[({(4E)-1-(3-methoxypropyl)-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/C23H29N5O5S2/c1-6-33-22(31)19-14(2)15(3)35-20(19)26-18(29)13-34-23-25-17(10-16-11-24-27(4)12-16)21(30)28(23)8-7-9-32-5/h10-12H,6-9,13H2,1-5H3,(H,26,29)/b17-10+
InChIKey	OTSVSQIATXJJTJ-LICLKQGHSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11592
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/1265434; Labnumber: NIV1636; UZI_ID: UZI-011594
Synonyms	ethyl 2-{[({1-(3-methoxypropyl)-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	308 °C