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2-(ethylsulfanyl)ethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 53tjzZLSeg5
InChI InChI=1S/C25H26ClNO3S2/c1-3-31-11-9-30-25(29)22-15(2)27-19-13-17(21-8-5-10-32-21)14-20(28)24(19)23(22)16-6-4-7-18(26)12-16/h4-8,10,12,17,23,27H,3,9,11,13-14H2,1-2H3
InChIKey NJXVZPFLOKJMLC-UHFFFAOYSA-N
Mol Weight 488.06 g/mol
Molecular Formula C25H26ClNO3S2
Exact Mass 487.104264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91PqqvM7cmg
Name 2-(ethylsulfanyl)ethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
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Formula C25H26ClNO3S2
InChI InChI=1S/C25H26ClNO3S2/c1-3-31-11-9-30-25(29)22-15(2)27-19-13-17(21-8-5-10-32-21)14-20(28)24(19)23(22)16-6-4-7-18(26)12-16/h4-8,10,12,17,23,27H,3,9,11,13-14H2,1-2H3
InChIKey NJXVZPFLOKJMLC-UHFFFAOYSA-N
Molecular Weight 488.060 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)c1sccc1)=O)c1cc(Cl)ccc1)C(=O)OCCSCC)C
SPLASH splash10-000i-9523200000-f0c895948397edaa7589
Synonyms 2-Ethylsulfanylethyl 4-(3-chlorophenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate 2-Ethylsulfanylethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate 2-Ethylsulfanylethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate 4-(3-Chlorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester 4-(3-Chlorophenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester
Wiley ID 1464664