[2-methoxy-4-[(Z)-(4-oxidanylidenequinazolin-3-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(Z)-(4-oxidanylidenequinazolin-3-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(Z)-(4-oxoquinazolin-3-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(Z)-(4-oxo-3-quinazolinyl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(4-oxoquinazolin-3-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(Z)-(4-ketoquinazolin-3-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C23H19N3O5S MolecularWeight: 449.47906

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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=NC4=CC=CC=C4C3=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N\N3C=NC4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C23H19N3O5S/c1-16-7-10-18(11-8-16)32(28,29)31-21-12-9-17(13-22(21)30-2)14-25-26-15-24-20-6-4-3-5-19(20)23(26)27/h3-15H,1-2H3/b25-14-