[2-methoxy-4-[(E)-3-oxidanylidene-3-pyridin-3-yl-prop-1-enyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-3-oxidanylidene-3-pyridin-3-yl-prop-1-enyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-3-oxo-3-(3-pyridyl)prop-1-enyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-3-oxo-3-(3-pyridinyl)prop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-oxo-3-pyridin-3-ylprop-1-enyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-keto-3-(3-pyridyl)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H19NO5S MolecularWeight: 409.45496

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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=CC(=O)C3=CN=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)C3=CN=CC=C3)OC

InChI

InChI=1S/C22H19NO5S/c1-16-5-9-19(10-6-16)29(25,26)28-21-12-8-17(14-22(21)27-2)7-11-20(24)18-4-3-13-23-15-18/h3-15H,1-2H3/b11-7+