[2-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-3-yl] ethanesulfonate

Systemtic Name: [2-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-3-yl] ethanesulfonate Openeye Name: [2-(4-methoxyphenyl)-4-oxo-quinazolin-3-yl] ethanesulfonate CAS Name: ethanesulfonic acid [2-(4-methoxyphenyl)-4-oxo-3-quinazolinyl] ester IUPAC Name: [2-(4-methoxyphenyl)-4-oxoquinazolin-3-yl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-keto-2-(4-methoxyphenyl)quinazolin-3-yl] ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)ON1C(=NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCS(=O)(=O)ON1C(=NC2=CC=CC=C2C1=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H16N2O5S/c1-3-25(21,22)24-19-16(12-8-10-13(23-2)11-9-12)18-15-7-5-4-6-14(15)17(19)20/h4-11H,3H2,1-2H3