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

SpectraBase Compound ID	FSrFz2sGE0W
InChI	InChI=1S/C27H35N5O5S2/c1-5-17-8-9-19-21(13-17)39-24(23(19)26(35)37-6-2)30-22(33)16-38-27-29-20(12-18-14-28-31(3)15-18)25(34)32(27)10-7-11-36-4/h12,14-15,17H,5-11,13,16H2,1-4H3,(H,30,33)/b20-12+
InChIKey	AKMMCIGGPUYUHY-UDWIEESQSA-N Google Search
Mol Weight	573.7 g/mol
Molecular Formula	C27H35N5O5S2
Exact Mass	573.207962 g/mol

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SpectraBase Spectrum ID	JV2kivC17Mr
Name	ethyl 6-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}-4,5,6,7-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/C27H35N5O5S2/c1-5-17-8-9-19-21(13-17)39-24(23(19)26(35)37-6-2)30-22(33)16-38-27-29-20(12-18-14-28-31(3)15-18)25(34)32(27)10-7-11-36-4/h12,14-15,17H,5-11,13,16H2,1-4H3,(H,30,33)/b20-12+
InChIKey	AKMMCIGGPUYUHY-UDWIEESQSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11594
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/1267518; Labnumber: NIV1641; UZI_ID: UZI-011596
Synonyms	ethyl 6-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}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	308 °C