(4R)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: (4R)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4R)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4R)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-(methylthio)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4R)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4R)-4-(3,4-dimethoxyphenyl)-5-keto-7,7-dimethyl-2-(methylthio)-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC(=C(C(C2C(=O)C1)C3=CC(=C(C=C3)OC)OC)C#N)SC)C

Isomeric SMILES

CC1(CC2=NC(=C([C@H](C2C(=O)C1)C3=CC(=C(C=C3)OC)OC)C#N)SC)C

InChI

InChI=1S/C21H24N2O3S/c1-21(2)9-14-19(15(24)10-21)18(13(11-22)20(23-14)27-5)12-6-7-16(25-3)17(8-12)26-4/h6-8,18-19H,9-10H2,1-5H3/t18-,19?/m1/s1