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

SpectraBase Compound ID	3qDinoZ8bHW
InChI	InChI=1S/C28H29N3O3S/c1-5-34-28(33)25-23-8-6-7-9-24(23)35-27(25)31-18(3)14-20(19(31)4)15-21(16-29)26(32)30-22-12-10-17(2)11-13-22/h10-15H,5-9H2,1-4H3,(H,30,32)/b21-15-
InChIKey	FGMCHSJNVSQXFW-QNGOZBTKSA-N Google Search
Mol Weight	487.62 g/mol
Molecular Formula	C28H29N3O3S
Exact Mass	487.192963 g/mol

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SpectraBase Spectrum ID	Aoiwio6AnoZ
Name	ethyl 2-{3-[(1Z)-2-cyano-3-oxo-3-(4-toluidino)-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/C28H29N3O3S/c1-5-34-28(33)25-23-8-6-7-9-24(23)35-27(25)31-18(3)14-20(19(31)4)15-21(16-29)26(32)30-22-12-10-17(2)11-13-22/h10-15H,5-9H2,1-4H3,(H,30,32)/b21-15-
InChIKey	FGMCHSJNVSQXFW-QNGOZBTKSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_9354
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: 133296; Labnumber: AREF-018531; VK_ID: VK-009358
Synonyms	ethyl 2-{3-[2-cyano-3-oxo-3-(4-toluidino)-1-propenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	308 °C