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

SpectraBase Compound ID	6p9OU0kW5MA
InChI	InChI=1S/C28H29N3O4S/c1-5-35-28(33)25-23-8-6-7-9-24(23)36-27(25)31-17(2)14-19(18(31)3)15-20(16-29)26(32)30-21-10-12-22(34-4)13-11-21/h10-15H,5-9H2,1-4H3,(H,30,32)/b20-15+
InChIKey	GDSIXKAKVHGIMV-HMMYKYKNSA-N Google Search
Mol Weight	503.62 g/mol
Molecular Formula	C28H29N3O4S
Exact Mass	503.187878 g/mol

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SpectraBase Spectrum ID	DqEilub09TE
Name	ethyl 2-{3-[(1E)-2-cyano-3-(4-methoxyanilino)-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/C28H29N3O4S/c1-5-35-28(33)25-23-8-6-7-9-24(23)36-27(25)31-17(2)14-19(18(31)3)15-20(16-29)26(32)30-21-10-12-22(34-4)13-11-21/h10-15H,5-9H2,1-4H3,(H,30,32)/b20-15+
InChIKey	GDSIXKAKVHGIMV-HMMYKYKNSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_2744
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/1009860; Labnumber: ARF3472; UZI_ID: UZI-002746
Synonyms	ethyl 2-{3-[2-cyano-3-(4-methoxyanilino)-3-oxo-1-propenyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	315 °C