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

Systemtic Name: methyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-4-[4-(methylthio)phenyl]-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-[4-(methylthio)phenyl]-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC=C(C=C3)SC)C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC=C(C=C3)SC)C(=O)OC

InChI

InChI=1S/C19H21NO3S/c1-11-16(19(22)23-2)17(12-7-9-13(24-3)10-8-12)18-14(20-11)5-4-6-15(18)21/h5,7-10,17-18,20H,4,6H2,1-3H3