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ethyl 2-{[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)carbothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 8gvlXbKwBd3
InChI InChI=1S/C22H23ClN4O4S2/c1-3-30-21(29)18-15-6-4-12(2)8-17(15)33-20(18)26-22(32)25-19(28)16-7-5-14(31-16)11-27-10-13(23)9-24-27/h5,7,9-10,12H,3-4,6,8,11H2,1-2H3,(H2,25,26,28,32)
InChIKey UBMMPWIYJFDHNY-UHFFFAOYSA-N
Mol Weight 507.02 g/mol
Molecular Formula C22H23ClN4O4S2
Exact Mass 506.084925 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IFt6A3VyXIm
Name ethyl 2-{[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)carbothioyl]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/C22H23ClN4O4S2/c1-3-30-21(29)18-15-6-4-12(2)8-17(15)33-20(18)26-22(32)25-19(28)16-7-5-14(31-16)11-27-10-13(23)9-24-27/h5,7,9-10,12H,3-4,6,8,11H2,1-2H3,(H2,25,26,28,32)
InChIKey UBMMPWIYJFDHNY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6338
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: 9686294; UBI_ID: UBI-006340
Temperature 318 °C