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

SpectraBase Compound ID	3W8eT9FjL43
InChI	InChI=1S/C27H27N5O4S2/c1-3-36-26(35)23-19-11-7-8-12-21(19)38-24(23)30-22(33)16-37-27-29-20(13-17-14-28-31(2)15-17)25(34)32(27)18-9-5-4-6-10-18/h4-6,9-10,13-15H,3,7-8,11-12,16H2,1-2H3,(H,30,33)/b20-13+
InChIKey	SJURYLCBVJIFKO-DEDYPNTBSA-N Google Search
Mol Weight	549.66 g/mol
Molecular Formula	C27H27N5O4S2
Exact Mass	549.150447 g/mol

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SpectraBase Spectrum ID	GIR4BYUZ8SQ
Name	ethyl 2-{[({(4E)-4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-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/C27H27N5O4S2/c1-3-36-26(35)23-19-11-7-8-12-21(19)38-24(23)30-22(33)16-37-27-29-20(13-17-14-28-31(2)15-17)25(34)32(27)18-9-5-4-6-10-18/h4-6,9-10,13-15H,3,7-8,11-12,16H2,1-2H3,(H,30,33)/b20-13+
InChIKey	SJURYLCBVJIFKO-DEDYPNTBSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11598
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/1265954; Labnumber: NIV1647; UZI_ID: UZI-011600
Synonyms	ethyl 2-{[({4-[(1-methyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	308 °C