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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCN2C=NC3=C(C2=O)C=CC(=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCN2C=NC3=C(C2=O)C=CC(=C3)Cl

InChI

InChI=1S/C16H13ClN2O4S/c17-12-6-7-14-15(10-12)18-11-19(16(14)20)8-9-24(21,22)23-13-4-2-1-3-5-13/h1-7,10-11H,8-9H2