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

Systemtic Name: [4-[(E)-(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)iminomethyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)iminomethyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic 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] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)iminomethyl]-2-methoxy-phenyl] ester Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H21N3O5S/c1-15-5-8-19(9-6-15)32(28,29)31-21-10-7-18(12-22(21)30-4)14-25-26-17(3)11-16(2)20(13-24)23(26)27/h5-12,14H,1-4H3/b25-14+