isopropyl 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	KGmzCTVY6XR
InChI	InChI=1S/C26H33N5O5S2/c1-16(2)36-25(34)22-18-8-5-6-9-20(18)38-23(22)29-21(32)15-37-26-28-19(12-17-13-27-30(3)14-17)24(33)31(26)10-7-11-35-4/h12-14,16H,5-11,15H2,1-4H3,(H,29,32)/b19-12+
InChIKey	AUDKLIYKTCTTDL-XDHOZWIPSA-N Google Search
Mol Weight	559.7 g/mol
Molecular Formula	C26H33N5O5S2
Exact Mass	559.192312 g/mol

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SpectraBase Spectrum ID	64mjtPIUVEU
Name	isopropyl 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/C26H33N5O5S2/c1-16(2)36-25(34)22-18-8-5-6-9-20(18)38-23(22)29-21(32)15-37-26-28-19(12-17-13-27-30(3)14-17)24(33)31(26)10-7-11-35-4/h12-14,16H,5-11,15H2,1-4H3,(H,29,32)/b19-12+
InChIKey	AUDKLIYKTCTTDL-XDHOZWIPSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11591
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/1266332; Labnumber: NIV1635; UZI_ID: UZI-011593
Synonyms	isopropyl 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