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

Systemtic Name: (4R)-4-(4-methoxyphenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4R)-4-(4-methoxyphenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4R)-4-(4-methoxyphenyl)-7,7-dimethyl-2-(methylthio)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4R)-4-(4-methoxyphenyl)-7,7-dimethyl-2-methylsulfanyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4R)-5-keto-4-(4-methoxyphenyl)-7,7-dimethyl-2-(methylthio)-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2S/c1-20(2)9-15-18(16(23)10-20)17(14(11-21)19(22-15)25-4)12-5-7-13(24-3)8-6-12/h5-8,17-18H,9-10H2,1-4H3/t17-,18?/m1/s1