ethyl 6-methyl-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	4SGUgK3LNGp
InChI	InChI=1S/C28H29N5O4S2/c1-4-37-27(36)24-20-11-10-17(2)12-22(20)39-25(24)31-23(34)16-38-28-30-21(13-18-14-29-32(3)15-18)26(35)33(28)19-8-6-5-7-9-19/h5-9,13-15,17H,4,10-12,16H2,1-3H3,(H,31,34)/b21-13+
InChIKey	SHSNTRAFTQLMPS-FYJGNVAPSA-N Google Search
Mol Weight	563.69 g/mol
Molecular Formula	C28H29N5O4S2
Exact Mass	563.166097 g/mol

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SpectraBase Spectrum ID	6qavXEV3jL3
Name	ethyl 6-methyl-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/C28H29N5O4S2/c1-4-37-27(36)24-20-11-10-17(2)12-22(20)39-25(24)31-23(34)16-38-28-30-21(13-18-14-29-32(3)15-18)26(35)33(28)19-8-6-5-7-9-19/h5-9,13-15,17H,4,10-12,16H2,1-3H3,(H,31,34)/b21-13+
InChIKey	SHSNTRAFTQLMPS-FYJGNVAPSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11601
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/1265371; Labnumber: NIV1651; UZI_ID: UZI-011603
Synonyms	ethyl 6-methyl-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