ethyl 2-{[({(4E)-4-[(1,3-dimethyl-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	2eA1PAi6xaB
InChI	InChI=1S/C28H29N5O4S2/c1-4-37-27(36)24-20-12-8-9-13-22(20)39-25(24)30-23(34)16-38-28-29-21(14-18-15-32(3)31-17(18)2)26(35)33(28)19-10-6-5-7-11-19/h5-7,10-11,14-15H,4,8-9,12-13,16H2,1-3H3,(H,30,34)/b21-14+
InChIKey	AXGWFIUUASJMRV-KGENOOAVSA-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	22dNtJhjnuz
Name	ethyl 2-{[({(4E)-4-[(1,3-dimethyl-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)24-20-12-8-9-13-22(20)39-25(24)30-23(34)16-38-28-29-21(14-18-15-32(3)31-17(18)2)26(35)33(28)19-10-6-5-7-11-19/h5-7,10-11,14-15H,4,8-9,12-13,16H2,1-3H3,(H,30,34)/b21-14+
InChIKey	AXGWFIUUASJMRV-KGENOOAVSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11613
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/1266921; Labnumber: NIV1664; UZI_ID: UZI-011615
Synonyms	ethyl 2-{[({4-[(1,3-dimethyl-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