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

SpectraBase Compound ID	H3WpDrgWwJi
InChI	InChI=1S/C25H31N5O4S2/c1-6-30-23(32)18(11-16-12-29(5)28-15(16)4)26-25(30)35-13-20(31)27-22-21(24(33)34-14(2)3)17-9-7-8-10-19(17)36-22/h11-12,14H,6-10,13H2,1-5H3,(H,27,31)/b18-11+
InChIKey	DDCWLQMZSJPYAK-WOJGMQOQSA-N Google Search
Mol Weight	529.67 g/mol
Molecular Formula	C25H31N5O4S2
Exact Mass	529.181747 g/mol

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SpectraBase Spectrum ID	7uu1OU3ryqZ
Name	isopropyl 2-{[({(4E)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-ethyl-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/C25H31N5O4S2/c1-6-30-23(32)18(11-16-12-29(5)28-15(16)4)26-25(30)35-13-20(31)27-22-21(24(33)34-14(2)3)17-9-7-8-10-19(17)36-22/h11-12,14H,6-10,13H2,1-5H3,(H,27,31)/b18-11+
InChIKey	DDCWLQMZSJPYAK-WOJGMQOQSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_11575
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/1267023; Labnumber: NIV1608; UZI_ID: UZI-011577
Synonyms	isopropyl 2-{[({4-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-1-ethyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl}sulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	313 °C