[4-[(E)-(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)iminomethyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(E)-(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)iminomethyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(E)-(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)iminomethyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(E)-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)iminomethyl]-2-methoxyphenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(E)-(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)iminomethyl]-2-methoxy-phenyl] ester Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)C=NN3C(=CC(=C(C3=O)C#N)C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/N3C(=CC(=C(C3=O)C#N)C)C)OC

InChI

InChI=1S/C24H23N3O5S/c1-15-6-7-16(2)23(10-15)33(29,30)32-21-9-8-19(12-22(21)31-5)14-26-27-18(4)11-17(3)20(13-25)24(27)28/h6-12,14H,1-5H3/b26-14+