methyl 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	EIjKtD2nVRa
InChI	InChI=1S/C25H29N3O4S3/c1-14(2)12-28-23(30)18(11-16-10-9-15(3)34-16)26-25(28)33-13-20(29)27-22-21(24(31)32-4)17-7-5-6-8-19(17)35-22/h9-11,14H,5-8,12-13H2,1-4H3,(H,27,29)/b18-11+
InChIKey	RRGXKKRQTPILDY-WOJGMQOQSA-N Google Search
Mol Weight	531.7 g/mol
Molecular Formula	C25H29N3O4S3
Exact Mass	531.13202 g/mol

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SpectraBase Spectrum ID	JWI7xd6VbvD
Name	methyl 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/C25H29N3O4S3/c1-14(2)12-28-23(30)18(11-16-10-9-15(3)34-16)26-25(28)33-13-20(29)27-22-21(24(31)32-4)17-7-5-6-8-19(17)35-22/h9-11,14H,5-8,12-13H2,1-4H3,(H,27,29)/b18-11+
InChIKey	RRGXKKRQTPILDY-WOJGMQOQSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11584
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/1267996; Labnumber: NIV1625; UZI_ID: UZI-011586
Synonyms	methyl 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	308 °C