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ethyl 2-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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ethyl 2-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID BXcFSQ7AtoJ
InChI InChI=1S/C20H25ClN4O3S2/c1-5-11-7-8-12-13(9-11)30-18(14(12)19(27)28-6-2)23-20(29)22-17(26)16-15(21)10(3)24-25(16)4/h11H,5-9H2,1-4H3,(H2,22,23,26,29)
InChIKey MAHHBTMGNWAFNM-UHFFFAOYSA-N
Mol Weight 469.02 g/mol
Molecular Formula C20H25ClN4O3S2
Exact Mass 468.105661 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8HDVmz8e92x
Name ethyl 2-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-6-ethyl-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/C20H25ClN4O3S2/c1-5-11-7-8-12-13(9-11)30-18(14(12)19(27)28-6-2)23-20(29)22-17(26)16-15(21)10(3)24-25(16)4/h11H,5-9H2,1-4H3,(H2,22,23,26,29)
InChIKey MAHHBTMGNWAFNM-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7258
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: 9686924; UBI_ID: UBI-007261
Temperature 308 °C