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4-(4-Chlorophenyl)-5-cyano-2-keto-6-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester
SpectraBase Compound ID IUaATWSL8rL
InChI InChI=1S/C19H15ClN4O4S2/c1-28-18(27)15-14(10-2-4-11(20)5-3-10)12(8-21)17(24-16(15)26)30-9-13(25)23-19-22-6-7-29-19/h2-7,14-15H,9H2,1H3,(H,24,26)(H,22,23,25)
InChIKey YPPMUCIDLSBERH-UHFFFAOYSA-N
Mol Weight 462.93 g/mol
Molecular Formula C19H15ClN4O4S2
Exact Mass 462.022325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgUAbvfxnQU
Name 4-(4-Chlorophenyl)-5-cyano-2-keto-6-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester
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Formula C19H15ClN4O4S2
InChI InChI=1S/C19H15ClN4O4S2/c1-28-18(27)15-14(10-2-4-11(20)5-3-10)12(8-21)17(24-16(15)26)30-9-13(25)23-19-22-6-7-29-19/h2-7,14-15H,9H2,1H3,(H,24,26)(H,22,23,25)
InChIKey YPPMUCIDLSBERH-UHFFFAOYSA-N
Molecular Weight 462.926 g/mol
SMILES N1C(C(C(C(=C1SCC(Nc1nccs1)=O)C#N)c1ccc(cc1)Cl)C(=O)OC)=O
SPLASH splash10-0udi-8911000000-940bee516d5a9153bd50
Synonyms 4-(4-Chlorophenyl)-5-cyano-2-oxo-6-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Methyl 4-(4-chlorophenyl)-5-cyano-2-oxidanylidene-6-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-1,2,3,4-tetrahydro-3-pyridinecarboxylate
Wiley ID 1462516