ethyl 7,7-dimethyl-2-methylidene-4-(4-methylsulfanylphenyl)-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 7,7-dimethyl-2-methylidene-4-(4-methylsulfanylphenyl)-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 7,7-dimethyl-2-methylene-4-(4-methylsulfanylphenyl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 7,7-dimethyl-2-methylene-4-[4-(methylthio)phenyl]-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7,7-dimethyl-2-methylidene-4-(4-methylsulfanylphenyl)-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-7,7-dimethyl-2-methylene-4-[4-(methylthio)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)NC1=C)C3=CC=C(C=C3)SC

Isomeric SMILES

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)NC1=C)C3=CC=C(C=C3)SC

InChI

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