ethyl 2-(3-{(1E)-2-cyano-3-[(2-furylmethyl)amino]-3-oxo-1-propenyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SpectraBase Compound ID	tDSThtU2OJ
InChI	InChI=1S/C26H27N3O4S/c1-4-32-26(31)23-21-9-5-6-10-22(21)34-25(23)29-16(2)12-18(17(29)3)13-19(14-27)24(30)28-15-20-8-7-11-33-20/h7-8,11-13H,4-6,9-10,15H2,1-3H3,(H,28,30)/b19-13+
InChIKey	MLUMJKHQHOUJQM-CPNJWEJPSA-N Google Search
Mol Weight	477.58 g/mol
Molecular Formula	C26H27N3O4S
Exact Mass	477.172228 g/mol

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SpectraBase Spectrum ID	WOtsl4IZL3
Name	ethyl 2-(3-{(1E)-2-cyano-3-[(2-furylmethyl)amino]-3-oxo-1-propenyl}-2,5-dimethyl-1H-pyrrol-1-yl)-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/C26H27N3O4S/c1-4-32-26(31)23-21-9-5-6-10-22(21)34-25(23)29-16(2)12-18(17(29)3)13-19(14-27)24(30)28-15-20-8-7-11-33-20/h7-8,11-13H,4-6,9-10,15H2,1-3H3,(H,28,30)/b19-13+
InChIKey	MLUMJKHQHOUJQM-CPNJWEJPSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_3530
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: 113145; Labnumber: PAVL-166904; VK_ID: VK-003531
Synonyms	ethyl 2-(3-{2-cyano-3-[(2-furylmethyl)amino]-3-oxo-1-propenyl}-2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	308 °C