3-cyano-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-sulfanyl-6,8-dihydro-4H-quinolin-5-olate

Systemtic Name: 3-cyano-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-sulfanyl-6,8-dihydro-4H-quinolin-5-olate Openeye Name: 3-cyano-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-sulfanyl-6,8-dihydro-4H-quinolin-5-olate CAS Name: 3-cyano-4-(3,4-dimethoxyphenyl)-2-mercapto-7,7-dimethyl-6,8-dihydro-4H-quinolin-5-olate IUPAC Name: 3-cyano-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-2-sulfanyl-6,8-dihydro-4H-quinolin-5-olate Traditional Name: 3-cyano-4-(3,4-dimethoxyphenyl)-2-mercapto-7,7-dimethyl-6,8-dihydro-4H-quinolin-5-olate Formula: C20H21N2O3S- MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C2C(C(=C(N=C2C1)S)C#N)C3=CC(=C(C=C3)OC)OC)[O-])C

Isomeric SMILES

CC1(CC(=C2C(C(=C(N=C2C1)S)C#N)C3=CC(=C(C=C3)OC)OC)[O-])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/h5-7,17,23,26H,8-9H2,1-4H3/p-1