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Cycloocta[b]thiophene-3-carboxylic acid, 2-[[[[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino]carbonothioyl]amino]-4,5,6,7,8,9-hexahydro-, methyl ester
SpectraBase Compound ID KTS1Eo7ebKR
InChI InChI=1S/C19H23ClN4O3S2/c1-3-24-15(12(20)10-21-24)16(25)22-19(28)23-17-14(18(26)27-2)11-8-6-4-5-7-9-13(11)29-17/h10H,3-9H2,1-2H3,(H2,22,23,25,28)
InChIKey XRTKAEZABIQYDX-UHFFFAOYSA-N
Mol Weight 454.99 g/mol
Molecular Formula C19H23ClN4O3S2
Exact Mass 454.090011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4v2yfxxXd6F
Name Cycloocta[b]thiophene-3-carboxylic acid, 2-[[[[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino]carbonothioyl]amino]-4,5,6,7,8,9-hexahydro-, methyl ester
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Formula C19H23ClN4O3S2
InChI InChI=1S/C19H23ClN4O3S2/c1-3-24-15(12(20)10-21-24)16(25)22-19(28)23-17-14(18(26)27-2)11-8-6-4-5-7-9-13(11)29-17/h10H,3-9H2,1-2H3,(H2,22,23,25,28)
InChIKey XRTKAEZABIQYDX-UHFFFAOYSA-N
Molecular Weight 454.991 g/mol
SMILES N(c1c(c2CCCCCCc2s1)C(=O)OC)C(NC(c1[n](ncc1Cl)CC)=O)=S
SPLASH splash10-000i-5953200000-0695dc19c2cca0725dd3
Source of Spectrum IY-1-4702-6
Synonyms Methyl 2-({[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate 2-[[[[(4-chloro-2-ethyl-3-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester Methyl 2-[(4-chloro-2-ethylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Methyl 2-[(4-chloro-2-ethyl-pyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Methyl 2-[(4-chloranyl-2-ethyl-pyrazol-3-yl)carbonylcarbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Wiley ID 1655009