[2-methoxy-4-[(E)-(2-methyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-(2-methyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-(2-methyl-4-oxo-quinazolin-3-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-[(E)-(2-methyl-4-oxo-3-quinazolinyl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-(4-keto-2-methyl-quinazolin-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)S(=O)(=O)OC2=C(C=C(C=C2)C=NN3C(=NC4=CC=CC=C4C3=O)C)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)C)OC

InChI

InChI=1S/C24H21N3O5S/c1-16-8-11-19(12-9-16)33(29,30)32-22-13-10-18(14-23(22)31-3)15-25-27-17(2)26-21-7-5-4-6-20(21)24(27)28/h4-15H,1-3H3/b25-15+