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2-Methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid propan-2-yl ester
SpectraBase Compound ID 8SfrbLNN4pn
InChI InChI=1S/C22H23NO3S2/c1-12(2)26-22(25)19-13(3)23-15-10-14(17-6-4-8-27-17)11-16(24)20(15)21(19)18-7-5-9-28-18/h4-9,12,14,21,23H,10-11H2,1-3H3
InChIKey QNQIGDUCMVQYCZ-UHFFFAOYSA-N
Mol Weight 413.55 g/mol
Molecular Formula C22H23NO3S2
Exact Mass 413.111936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GhswIOJx5Da
Name 2-Methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid propan-2-yl ester
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Formula C22H23NO3S2
InChI InChI=1S/C22H23NO3S2/c1-12(2)26-22(25)19-13(3)23-15-10-14(17-6-4-8-27-17)11-16(24)20(15)21(19)18-7-5-9-28-18/h4-9,12,14,21,23H,10-11H2,1-3H3
InChIKey QNQIGDUCMVQYCZ-UHFFFAOYSA-N
Molecular Weight 413.550 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)c1sccc1)=O)c1sccc1)C(OC(C)C)=O)C
SPLASH splash10-03mi-1869500000-76a79af7b0c9007c5f67
Synonyms 5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid isopropyl ester isopropyl 2-methyl-5-oxo-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Propan-2-yl 2-methyl-5-oxidanylidene-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Propan-2-yl 2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Wiley ID 1464655