[4-[(E)-2-cyano-3-[(2-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-2-cyano-3-[(2-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-2-cyano-3-keto-3-(o-phenetidino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H24N2O6S MolecularWeight: 492.54356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OC)C#N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)/C(=C/C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)OC)/C#N

InChI

InChI=1S/C26H24N2O6S/c1-4-33-23-8-6-5-7-22(23)28-26(29)20(17-27)15-19-11-14-24(25(16-19)32-3)34-35(30,31)21-12-9-18(2)10-13-21/h5-16H,4H2,1-3H3,(H,28,29)/b20-15+