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

SpectraBase Compound ID	2hsvjjpKhM4
InChI	InChI=1S/C29H31N5O4S2/c1-17(2)38-28(37)25-21-12-8-9-13-23(21)40-26(25)31-24(35)16-39-29-30-22(14-19-15-33(4)32-18(19)3)27(36)34(29)20-10-6-5-7-11-20/h5-7,10-11,14-15,17H,8-9,12-13,16H2,1-4H3,(H,31,35)/b22-14+
InChIKey	IGTPNTKEOOUPQJ-HYARGMPZSA-N Google Search
Mol Weight	577.72 g/mol
Molecular Formula	C29H31N5O4S2
Exact Mass	577.181747 g/mol

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SpectraBase Spectrum ID	29K5DWkeMt0
Name	isopropyl 2-{[({(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-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/C29H31N5O4S2/c1-17(2)38-28(37)25-21-12-8-9-13-23(21)40-26(25)31-24(35)16-39-29-30-22(14-19-15-33(4)32-18(19)3)27(36)34(29)20-10-6-5-7-11-20/h5-7,10-11,14-15,17H,8-9,12-13,16H2,1-4H3,(H,31,35)/b22-14+
InChIKey	IGTPNTKEOOUPQJ-HYARGMPZSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11610
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/1266818; Labnumber: NIV1661; UZI_ID: UZI-011612
Synonyms	isopropyl 2-{[({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	313 °C