ethyl 2-{[({(4E)-1-isobutyl-4-[(5-methyl-2-thienyl)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	IkAoJG37Fl0
InChI	InChI=1S/C26H31N3O4S3/c1-5-33-25(32)22-18-8-6-7-9-20(18)36-23(22)28-21(30)14-34-26-27-19(12-17-11-10-16(4)35-17)24(31)29(26)13-15(2)3/h10-12,15H,5-9,13-14H2,1-4H3,(H,28,30)/b19-12+
InChIKey	BAPLVBXFEBSNQW-XDHOZWIPSA-N Google Search
Mol Weight	545.73 g/mol
Molecular Formula	C26H31N3O4S3
Exact Mass	545.14767 g/mol

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SpectraBase Spectrum ID	8r2vonSBWA
Name	ethyl 2-{[({(4E)-1-isobutyl-4-[(5-methyl-2-thienyl)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/C26H31N3O4S3/c1-5-33-25(32)22-18-8-6-7-9-20(18)36-23(22)28-21(30)14-34-26-27-19(12-17-11-10-16(4)35-17)24(31)29(26)13-15(2)3/h10-12,15H,5-9,13-14H2,1-4H3,(H,28,30)/b19-12+
InChIKey	BAPLVBXFEBSNQW-XDHOZWIPSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11588
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/1266664; Labnumber: NIV1629; UZI_ID: UZI-011590
Synonyms	ethyl 2-{[({1-isobutyl-4-[(5-methyl-2-thienyl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	313 °C