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ethyl 2-[({[(4-chloro-1-methyl-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-methyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 1PljWsICz6H
InChI InChI=1S/C19H23ClN4O3S2/c1-4-10-6-7-11-13(8-10)29-17(14(11)18(26)27-5-2)23-19(28)22-16(25)15-12(20)9-21-24(15)3/h9-10H,4-8H2,1-3H3,(H2,22,23,25,28)
InChIKey JQCPZLZJOMPHKD-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 At64bboNHzb
Name ethyl 2-[({[(4-chloro-1-methyl-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/C19H23ClN4O3S2/c1-4-10-6-7-11-13(8-10)29-17(14(11)18(26)27-5-2)23-19(28)22-16(25)15-12(20)9-21-24(15)3/h9-10H,4-8H2,1-3H3,(H2,22,23,25,28)
InChIKey JQCPZLZJOMPHKD-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14597
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: UZI/1019774; UBI_ID: UBI-014600
Temperature 300 °C