[2-methoxy-4-(4-oxidanylidene-2,3-dihydro-1H-quinazolin-2-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-4-(4-oxidanylidene-2,3-dihydro-1H-quinazolin-2-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl] ester IUPAC Name: [2-methoxy-4-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(4-keto-2,3-dihydro-1H-quinazolin-2-yl)-2-methoxy-phenyl] ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3NC4=CC=CC=C4C(=O)N3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3NC4=CC=CC=C4C(=O)N3)OC

InChI

InChI=1S/C22H20N2O5S/c1-14-7-10-16(11-8-14)30(26,27)29-19-12-9-15(13-20(19)28-2)21-23-18-6-4-3-5-17(18)22(25)24-21/h3-13,21,23H,1-2H3,(H,24,25)