(3S,4R)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile

Systemtic Name: (3S,4R)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxidanylidene-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: (3S,4R)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-thioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: (3S,4R)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: (3S,4R)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: (3S,4R)-5-keto-4-(4-methoxyphenyl)-7,7-dimethyl-2-thioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(C(=S)N2)C#N)C3=CC=C(C=C3)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H]([C@H](C(=S)N2)C#N)C3=CC=C(C=C3)OC)C(=O)C1)C

InChI

InChI=1S/C19H20N2O2S/c1-19(2)8-14-17(15(22)9-19)16(13(10-20)18(24)21-14)11-4-6-12(23-3)7-5-11/h4-7,13,16H,8-9H2,1-3H3,(H,21,24)/t13-,16+/m1/s1