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

Systemtic Name: propyl (4S)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: propyl (4S)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S)-2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-[4-(methylthio)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid propyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)SC)C(=O)CCC2)C

Isomeric SMILES

CCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=C(C=C3)SC)C(=O)CCC2)C

InChI

InChI=1S/C21H25NO3S/c1-4-12-25-21(24)18-13(2)22-16-6-5-7-17(23)20(16)19(18)14-8-10-15(26-3)11-9-14/h8-11,19,22H,4-7,12H2,1-3H3/t19-/m1/s1