[3-cyano-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methyl-2-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-cyano-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methyl-2-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate Openeye Name: [3-cyano-6-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-4-methyl-2-oxo-1-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-cyano-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methyl-2-oxo-1-pyridinyl] ester IUPAC Name: [3-cyano-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methyl-2-oxopyridin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-cyano-6-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-2-keto-4-methyl-1-pyridyl] ester Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=C(C2=O)C#N)C)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=C(C2=O)C#N)C)/C=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H22N2O6S/c1-16-5-10-20(11-6-16)33(28,29)32-26-19(13-17(2)21(15-25)24(26)27)9-7-18-8-12-22(30-3)23(14-18)31-4/h5-14H,1-4H3/b9-7+