isopropyl 2-[({[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SpectraBase Compound ID	JZqZ5y68cjV
InChI	InChI=1S/C27H35N5O5S2/c1-16(2)37-26(35)23-19-9-6-7-10-21(19)39-24(23)29-22(33)15-38-27-28-20(13-18-14-31(4)30-17(18)3)25(34)32(27)11-8-12-36-5/h13-14,16H,6-12,15H2,1-5H3,(H,29,33)/b20-13+
InChIKey	LMKAOMRQHGNGTG-DEDYPNTBSA-N Google Search
Mol Weight	573.7 g/mol
Molecular Formula	C27H35N5O5S2
Exact Mass	573.207962 g/mol

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SpectraBase Spectrum ID	C1cdeQ38sXl
Name	isopropyl 2-[({[(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-(3-methoxypropyl)-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/C27H35N5O5S2/c1-16(2)37-26(35)23-19-9-6-7-10-21(19)39-24(23)29-22(33)15-38-27-28-20(13-18-14-31(4)30-17(18)3)25(34)32(27)11-8-12-36-5/h13-14,16H,6-12,15H2,1-5H3,(H,29,33)/b20-13+
InChIKey	LMKAOMRQHGNGTG-DEDYPNTBSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11603
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/1268070; Labnumber: NIV1653; UZI_ID: UZI-011605
Synonyms	isopropyl 2-[({[4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-(3-methoxypropyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	308 °C