2-ethylsulfanylethyl (4S)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-4-(2,5-dimethoxyphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)OC)OC)C(=O)CCC2)C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC2=C([C@@H]1C3=C(C=CC(=C3)OC)OC)C(=O)CCC2)C

InChI

InChI=1S/C23H29NO5S/c1-5-30-12-11-29-23(26)20-14(2)24-17-7-6-8-18(25)22(17)21(20)16-13-15(27-3)9-10-19(16)28-4/h9-10,13,21,24H,5-8,11-12H2,1-4H3/t21-/m1/s1