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

View entire compound with spectra: 1 NMR

ethyl 2-{[(2E)-2-cyano-3-(5-methyl-2-thienyl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 65ZtTlxBBYJ
InChI InChI=1S/C21H22N2O3S2/c1-4-26-21(25)18-16-8-5-12(2)9-17(16)28-20(18)23-19(24)14(11-22)10-15-7-6-13(3)27-15/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,23,24)/b14-10+
InChIKey PDDCRSFKOCBUBX-GXDHUFHOSA-N
Mol Weight 414.54 g/mol
Molecular Formula C21H22N2O3S2
Exact Mass 414.107185 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6wgPTmxDxRq
Name ethyl 2-{[(2E)-2-cyano-3-(5-methyl-2-thienyl)-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/C21H22N2O3S2/c1-4-26-21(25)18-16-8-5-12(2)9-17(16)28-20(18)23-19(24)14(11-22)10-15-7-6-13(3)27-15/h6-7,10,12H,4-5,8-9H2,1-3H3,(H,23,24)/b14-10+
InChIKey PDDCRSFKOCBUBX-GXDHUFHOSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14702
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: C26001; Labnumber: MAT3-0033; SBI_ID: SBI-014705
Synonyms ethyl 2-{[2-cyano-3-(5-methyl-2-thienyl)-2-propenoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C