[4-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [4-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(E)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(E)-2-cyano-3-keto-3-(methylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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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=C(C#N)C(=O)NC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC)OC

InChI

InChI=1S/C20H20N2O5S/c1-13-5-6-14(2)19(9-13)28(24,25)27-17-8-7-15(11-18(17)26-4)10-16(12-21)20(23)22-3/h5-11H,1-4H3,(H,22,23)/b16-10+