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

Systemtic Name: butan-2-yl 2-methyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: sec-butyl 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 butan-2-yl ester IUPAC Name: butan-2-yl 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 sec-butyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(NC2=CCCC(=O)C2C1C3=CC=C(C=C3)SC)C

Isomeric SMILES

CCC(C)OC(=O)C1=C(NC2=CCCC(=O)C2C1C3=CC=C(C=C3)SC)C

InChI

InChI=1S/C22H27NO3S/c1-5-13(2)26-22(25)19-14(3)23-17-7-6-8-18(24)21(17)20(19)15-9-11-16(27-4)12-10-15/h7,9-13,20-21,23H,5-6,8H2,1-4H3