O3-(2-ethylsulfanylethyl) O6-methyl 2,7-dimethyl-5-oxidanylidene-4-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate

Systemtic Name: O3-(2-ethylsulfanylethyl) O6-methyl 2,7-dimethyl-5-oxidanylidene-4-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate Openeye Name: O3-(2-ethylsulfanylethyl) O6-methyl 2,7-dimethyl-5-oxo-4-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate CAS Name: 2,7-dimethyl-5-oxo-4-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylic acid O3-[2-(ethylthio)ethyl] ester O6-methyl ester IUPAC Name: 3-O-(2-ethylsulfanylethyl) 6-O-methyl 2,7-dimethyl-5-oxo-4-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylate Traditional Name: 5-keto-2,7-dimethyl-4-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3,6-dicarboxylic acid O3-[2-(ethylthio)ethyl] ester O6-methyl ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=CC(C(C(=O)C2C1C3=CC=CC=C3)C(=O)OC)C)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=CC(C(C(=O)C2C1C3=CC=CC=C3)C(=O)OC)C)C

InChI

InChI=1S/C24H29NO5S/c1-5-31-12-11-30-24(28)19-15(3)25-17-13-14(2)18(23(27)29-4)22(26)21(17)20(19)16-9-7-6-8-10-16/h6-10,13-14,18,20-21,25H,5,11-12H2,1-4H3