(1-ethyl-7-methoxy-2-oxidanylidene-3-phenyl-quinolin-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-ethyl-7-methoxy-2-oxidanylidene-3-phenyl-quinolin-4-yl) 4-methylbenzenesulfonate Openeye Name: (1-ethyl-7-methoxy-2-oxo-3-phenyl-4-quinolyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-ethyl-7-methoxy-2-oxo-3-phenyl-4-quinolinyl) ester IUPAC Name: (1-ethyl-7-methoxy-2-oxo-3-phenylquinolin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-ethyl-2-keto-7-methoxy-3-phenyl-4-quinolyl) ester Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)OC)C(=C(C1=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)OC)C(=C(C1=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H23NO5S/c1-4-26-22-16-19(30-3)12-15-21(22)24(23(25(26)27)18-8-6-5-7-9-18)31-32(28,29)20-13-10-17(2)11-14-20/h5-16H,4H2,1-3H3