(7-chloranyl-4-oxidanylidene-2-phenyl-quinazolin-3-yl) ethanesulfonate

Systemtic Name: (7-chloranyl-4-oxidanylidene-2-phenyl-quinazolin-3-yl) ethanesulfonate Openeye Name: (7-chloro-4-oxo-2-phenyl-quinazolin-3-yl) ethanesulfonate CAS Name: ethanesulfonic acid (7-chloro-4-oxo-2-phenyl-3-quinazolinyl) ester IUPAC Name: (7-chloro-4-oxo-2-phenylquinazolin-3-yl) ethanesulfonate Traditional Name: ethanesulfonic acid (7-chloro-4-keto-2-phenyl-quinazolin-3-yl) ester Formula: C16H13ClN2O4S MolecularWeight: 364.80342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)ON1C(=NC2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)ON1C(=NC2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H13ClN2O4S/c1-2-24(21,22)23-19-15(11-6-4-3-5-7-11)18-14-10-12(17)8-9-13(14)16(19)20/h3-10H,2H2,1H3