[2-methoxy-4-[(Z)-(4-oxidanylidenequinazolin-3-yl)iminomethyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(Z)-(4-oxidanylidenequinazolin-3-yl)iminomethyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2-methoxy-4-[(Z)-(4-oxoquinazolin-3-yl)iminomethyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(Z)-(4-oxo-3-quinazolinyl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(Z)-(4-oxoquinazolin-3-yl)iminomethyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(Z)-(4-ketoquinazolin-3-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C24H21N3O5S MolecularWeight: 463.50564

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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=NN3C=NC4=CC=CC=C4C3=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O5S/c1-16-8-9-17(2)23(12-16)33(29,30)32-21-11-10-18(13-22(21)31-3)14-26-27-15-25-20-7-5-4-6-19(20)24(27)28/h4-15H,1-3H3/b26-14-