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

SpectraBase Compound ID	A1CGc5IiMFw
InChI	InChI=1S/C26H22Cl2N2O4S/c1-3-33-26(32)22-18-9-7-14(2)11-21(18)35-25(22)30-24(31)15(13-29)12-16-8-10-20(34-16)17-5-4-6-19(27)23(17)28/h4-6,8,10,12,14H,3,7,9,11H2,1-2H3,(H,30,31)/b15-12+
InChIKey	BYMQSYQYLZIXNE-NTCAYCPXSA-N Google Search
Mol Weight	529.44 g/mol
Molecular Formula	C26H22Cl2N2O4S
Exact Mass	528.067734 g/mol

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SpectraBase Spectrum ID	58YLtj5Yo9D
Name	ethyl 2-({(2E)-2-cyano-3-[5-(2,3-dichlorophenyl)-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/C26H22Cl2N2O4S/c1-3-33-26(32)22-18-9-7-14(2)11-21(18)35-25(22)30-24(31)15(13-29)12-16-8-10-20(34-16)17-5-4-6-19(27)23(17)28/h4-6,8,10,12,14H,3,7,9,11H2,1-2H3,(H,30,31)/b15-12+
InChIKey	BYMQSYQYLZIXNE-NTCAYCPXSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14689
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: C25980; Labnumber: MAT3-0012; SBI_ID: SBI-014692
Synonyms	ethyl 2-({2-cyano-3-[5-(2,3-dichlorophenyl)-2-furyl]-2-propenoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	318 °C