potassium 3-cyano-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-2-thiolate

Systemtic Name: potassium 3-cyano-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-2-thiolate Openeye Name: potassium 3-cyano-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-2-thiolate CAS Name: potassium 3-cyano-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-2-thiolate IUPAC Name: potassium 3-cyano-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-2-thiolate Traditional Name: potassium 3-cyano-4-(3,4-dimethoxyphenyl)-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinoline-2-thiolate Formula: C20H21KN2O3S MolecularWeight: 408.55564

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)[S-])C#N)C3=CC(=C(C=C3)OC)OC)C(=O)C1)C.[K+]

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)[S-])C#N)C3=CC(=C(C=C3)OC)OC)C(=O)C1)C.[K+]

InChI

InChI=1S/C20H22N2O3S.K/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;/h5-7,17,22,26H,8-9H2,1-4H3;/q;+1/p-1