2-{3-[(E)-(1-(4-ethoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

SpectraBase Compound ID	EURkZDDpjwZ
InChI	InChI=1S/C28H26N4O4S/c1-4-36-20-11-9-19(10-12-20)32-26(34)22(25(33)30-28(32)35)14-18-13-16(2)31(17(18)3)27-23(15-29)21-7-5-6-8-24(21)37-27/h9-14H,4-8H2,1-3H3,(H,30,33,35)/b22-14+
InChIKey	IHRIAZBXICZFIH-HYARGMPZSA-N Google Search
Mol Weight	514.6 g/mol
Molecular Formula	C28H26N4O4S
Exact Mass	514.167477 g/mol

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SpectraBase Spectrum ID	4wpQkdr1aRY
Name	2-{3-[(E)-(1-(4-ethoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
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/C28H26N4O4S/c1-4-36-20-11-9-19(10-12-20)32-26(34)22(25(33)30-28(32)35)14-18-13-16(2)31(17(18)3)27-23(15-29)21-7-5-6-8-24(21)37-27/h9-14H,4-8H2,1-3H3,(H,30,33,35)/b22-14+
InChIKey	IHRIAZBXICZFIH-HYARGMPZSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_8921
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: 133299; Labnumber: AREF-019689; VK_ID: VK-008925
Synonyms	2-{3-[(1-(4-ethoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Temperature	318 °C