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ethyl 2-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

View entire compound with spectra: 1 NMR

ethyl 2-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID JxVGfg2cmnP
InChI InChI=1S/C21H23ClN2O3S3/c1-3-27-20(26)17-13-7-5-4-6-8-16(13)30-19(17)24-21(28)23-18(25)14-11-12(29-2)9-10-15(14)22/h9-11H,3-8H2,1-2H3,(H2,23,24,25,28)
InChIKey DZTNYZKEOUFIIR-UHFFFAOYSA-N
Mol Weight 483.06 g/mol
Molecular Formula C21H23ClN2O3S3
Exact Mass 482.055934 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FRB3W2e3iQO
Name ethyl 2-[({[2-chloro-5-(methylsulfanyl)benzoyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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/C21H23ClN2O3S3/c1-3-27-20(26)17-13-7-5-4-6-8-16(13)30-19(17)24-21(28)23-18(25)14-11-12(29-2)9-10-15(14)22/h9-11H,3-8H2,1-2H3,(H2,23,24,25,28)
InChIKey DZTNYZKEOUFIIR-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6971
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: 9685909; UBI_ID: UBI-006973
Temperature 308 °C