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

Systemtic Name: (4R)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-2-sulfanyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: (4R)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: (4R)-4-(3,4-dimethoxyphenyl)-2-mercapto-7,7-dimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: (4R)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: (4R)-4-(3,4-dimethoxyphenyl)-5-keto-2-mercapto-7,7-dimethyl-4,4a,6,8-tetrahydroquinoline-3-carbonitrile Formula: C20H22N2O3S MolecularWeight: 370.46528

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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)S)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-20(2)8-13-18(14(23)9-20)17(12(10-21)19(26)22-13)11-5-6-15(24-3)16(7-11)25-4/h5-7,17-18,26H,8-9H2,1-4H3/t17-,18?/m1/s1