ethyl 2-[(4-{[(Z)-(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SpectraBase Compound ID	BQOQ9CuCY2v
InChI	InChI=1S/C30H28N4O6S/c1-3-40-29(38)24-21-6-4-5-7-23(21)41-27(24)32-25(35)18-10-12-19(13-11-18)31-16-22-26(36)33-30(39)34(28(22)37)20-14-8-17(2)9-15-20/h8-16,31H,3-7H2,1-2H3,(H,32,35)(H,33,36,39)/b22-16-
InChIKey	QZSUZIVUSZACJM-JWGURIENSA-N Google Search
Mol Weight	572.64 g/mol
Molecular Formula	C30H28N4O6S
Exact Mass	572.172956 g/mol

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SpectraBase Spectrum ID	CJxbgkOwHab
Name	ethyl 2-[(4-{[(Z)-(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoyl)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/C30H28N4O6S/c1-3-40-29(38)24-21-6-4-5-7-23(21)41-27(24)32-25(35)18-10-12-19(13-11-18)31-16-22-26(36)33-30(39)34(28(22)37)20-14-8-17(2)9-15-20/h8-16,31H,3-7H2,1-2H3,(H,32,35)(H,33,36,39)/b22-16-
InChIKey	QZSUZIVUSZACJM-JWGURIENSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_13421
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/9127860; UBI_ID: UBI-013424
Synonyms	ethyl 2-[(4-{[(1-(4-methylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	308 °C