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

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ethyl 2-[({[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID AEE7p2Lqcxt
InChI InChI=1S/C19H23ClN4O3S2/c1-4-24-15(12(20)9-21-24)16(25)22-19(28)23-17-14(18(26)27-5-2)11-7-6-10(3)8-13(11)29-17/h9-10H,4-8H2,1-3H3,(H2,22,23,25,28)
InChIKey VIHDMFMNIMRASM-UHFFFAOYSA-N
Mol Weight 454.99 g/mol
Molecular Formula C19H23ClN4O3S2
Exact Mass 454.090011 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3LnvugLJxrB
Name ethyl 2-[({[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]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/C19H23ClN4O3S2/c1-4-24-15(12(20)9-21-24)16(25)22-19(28)23-17-14(18(26)27-5-2)11-7-6-10(3)8-13(11)29-17/h9-10H,4-8H2,1-3H3,(H2,22,23,25,28)
InChIKey VIHDMFMNIMRASM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4506
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: 9679449; UBI_ID: UBI-004507
Temperature 308 °C