ethyl 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]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SpectraBase Compound ID	9eNyLyr0ILF
InChI	InChI=1S/C28H37N5O5S2/c1-6-18-9-10-20-22(13-18)40-25(24(20)27(36)38-7-2)30-23(34)16-39-28-29-21(14-19-15-32(4)31-17(19)3)26(35)33(28)11-8-12-37-5/h14-15,18H,6-13,16H2,1-5H3,(H,30,34)/b21-14+
InChIKey	QFADMHYXSCZPMY-KGENOOAVSA-N Google Search
Mol Weight	587.8 g/mol
Molecular Formula	C28H37N5O5S2
Exact Mass	587.223612 g/mol

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SpectraBase Spectrum ID	94bTH0DxCOq
Name	ethyl 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]-6-ethyl-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/C28H37N5O5S2/c1-6-18-9-10-20-22(13-18)40-25(24(20)27(36)38-7-2)30-23(34)16-39-28-29-21(14-19-15-32(4)31-17(19)3)26(35)33(28)11-8-12-37-5/h14-15,18H,6-13,16H2,1-5H3,(H,30,34)/b21-14+
InChIKey	QFADMHYXSCZPMY-KGENOOAVSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11608
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/1266515; Labnumber: NIV1659; UZI_ID: UZI-011610
Synonyms	ethyl 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]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	308 °C