phenyl 2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanesulfonate

Systemtic Name: phenyl 2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanesulfonate Openeye Name: phenyl 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylethanesulfonate CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylethanesulfonate Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O4S2/c1-2-12-21-18(22)16-10-6-7-11-17(16)20-19(21)26-13-14-27(23,24)25-15-8-4-3-5-9-15/h2-11H,1,12-14H2