ethyl 2-({(2E)-2-cyano-3-[5-(4-methylphenyl)-2-furyl]-2-propenoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

SpectraBase Compound ID	Cwd3LJq3Z0Y
InChI	InChI=1S/C27H26N2O4S/c1-4-32-27(31)24-21-11-7-17(3)13-23(21)34-26(24)29-25(30)19(15-28)14-20-10-12-22(33-20)18-8-5-16(2)6-9-18/h5-6,8-10,12,14,17H,4,7,11,13H2,1-3H3,(H,29,30)/b19-14+
InChIKey	KTUNNOVWZSHKBU-XMHGGMMESA-N Google Search
Mol Weight	474.58 g/mol
Molecular Formula	C27H26N2O4S
Exact Mass	474.161328 g/mol

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SpectraBase Spectrum ID	AzNXu4A3B0N
Name	ethyl 2-({(2E)-2-cyano-3-[5-(4-methylphenyl)-2-furyl]-2-propenoyl}amino)-6-methyl-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/C27H26N2O4S/c1-4-32-27(31)24-21-11-7-17(3)13-23(21)34-26(24)29-25(30)19(15-28)14-20-10-12-22(33-20)18-8-5-16(2)6-9-18/h5-6,8-10,12,14,17H,4,7,11,13H2,1-3H3,(H,29,30)/b19-14+
InChIKey	KTUNNOVWZSHKBU-XMHGGMMESA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14693
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: C25984; Labnumber: MAT3-0016; SBI_ID: SBI-014696
Synonyms	ethyl 2-({2-cyano-3-[5-(4-methylphenyl)-2-furyl]-2-propenoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	318 °C