4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-(2-methylpropylsulfanyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-(2-methylpropylsulfanyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(3,4-dimethoxyphenyl)-2-isobutylsulfanyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-(2-methylpropylthio)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-(2-methylpropylsulfanyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(3,4-dimethoxyphenyl)-2-(isobutylthio)-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)OC)C#N

Isomeric SMILES

CC(C)CSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)OC)C#N

InChI

InChI=1S/C24H30N2O3S/c1-14(2)13-30-23-16(12-25)21(15-7-8-19(28-5)20(9-15)29-6)22-17(26-23)10-24(3,4)11-18(22)27/h7-9,14,21,26H,10-11,13H2,1-6H3