methyl 2-{[({(4E)-1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)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	54ugJ2kNkuS
InChI	InChI=1S/C24H29N5O5S2/c1-28-13-15(12-25-28)11-17-22(31)29(9-6-10-33-2)24(26-17)35-14-19(30)27-21-20(23(32)34-3)16-7-4-5-8-18(16)36-21/h11-13H,4-10,14H2,1-3H3,(H,27,30)/b17-11+
InChIKey	MMSGKJIWWMFTNI-GZTJUZNOSA-N Google Search
Mol Weight	531.65 g/mol
Molecular Formula	C24H29N5O5S2
Exact Mass	531.161011 g/mol

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SpectraBase Spectrum ID	CDyxrMBsGb8
Name	methyl 2-{[({(4E)-1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)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/C24H29N5O5S2/c1-28-13-15(12-25-28)11-17-22(31)29(9-6-10-33-2)24(26-17)35-14-19(30)27-21-20(23(32)34-3)16-7-4-5-8-18(16)36-21/h11-13H,4-10,14H2,1-3H3,(H,27,30)/b17-11+
InChIKey	MMSGKJIWWMFTNI-GZTJUZNOSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11590
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/1268048; Labnumber: NIV1634; UZI_ID: UZI-011592
Synonyms	methyl 2-{[({1-(3-methoxypropyl)-4-[(1-methyl-1H-pyrazol-4-yl)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