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

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ethyl 2-({(2E)-2-cyano-3-[2-(difluoromethoxy)phenyl]-2-propenoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 1odvWqfAX1R
InChI InChI=1S/C22H20F2N2O4S/c1-2-29-21(28)18-15-8-4-6-10-17(15)31-20(18)26-19(27)14(12-25)11-13-7-3-5-9-16(13)30-22(23)24/h3,5,7,9,11,22H,2,4,6,8,10H2,1H3,(H,26,27)/b14-11+
InChIKey QWBIOPSXJCUURD-SDNWHVSQSA-N
Mol Weight 446.47 g/mol
Molecular Formula C22H20F2N2O4S
Exact Mass 446.111185 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6sGTYgeSVzM
Name ethyl 2-({(2E)-2-cyano-3-[2-(difluoromethoxy)phenyl]-2-propenoyl}amino)-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/C22H20F2N2O4S/c1-2-29-21(28)18-15-8-4-6-10-17(15)31-20(18)26-19(27)14(12-25)11-13-7-3-5-9-16(13)30-22(23)24/h3,5,7,9,11,22H,2,4,6,8,10H2,1H3,(H,26,27)/b14-11+
InChIKey QWBIOPSXJCUURD-SDNWHVSQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14706
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: C26005; Labnumber: MAT3-0037; SBI_ID: SBI-014709
Synonyms ethyl 2-({2-cyano-3-[2-(difluoromethoxy)phenyl]-2-propenoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C