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

SpectraBase Compound ID	ECIM27S8Ikw
InChI	InChI=1S/C26H22ClN3O6S/c1-3-35-26(32)23-19-7-4-14(2)10-22(19)37-25(23)29-24(31)15(13-28)11-17-6-9-21(36-17)18-8-5-16(30(33)34)12-20(18)27/h5-6,8-9,11-12,14H,3-4,7,10H2,1-2H3,(H,29,31)/b15-11+
InChIKey	BGBCQNKOHXJIGZ-RVDMUPIBSA-N Google Search
Mol Weight	539.99 g/mol
Molecular Formula	C26H22ClN3O6S
Exact Mass	539.091784 g/mol

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SpectraBase Spectrum ID	DisVlBUY0sT
Name	ethyl 2-({(2E)-3-[5-(2-chloro-4-nitrophenyl)-2-furyl]-2-cyano-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/C26H22ClN3O6S/c1-3-35-26(32)23-19-7-4-14(2)10-22(19)37-25(23)29-24(31)15(13-28)11-17-6-9-21(36-17)18-8-5-16(30(33)34)12-20(18)27/h5-6,8-9,11-12,14H,3-4,7,10H2,1-2H3,(H,29,31)/b15-11+
InChIKey	BGBCQNKOHXJIGZ-RVDMUPIBSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_14695
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: C25987; Labnumber: MAT3-0019; SBI_ID: SBI-014698
Synonyms	ethyl 2-({3-[5-(2-chloro-4-nitrophenyl)-2-furyl]-2-cyano-2-propenoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature	318 °C