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

Systemtic Name: (4-bromophenyl) 2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanesulfonate Openeye Name: (4-bromophenyl) 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylethanesulfonate CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethanesulfonic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylethanesulfonate Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]ethanesulfonic acid (4-bromophenyl) ester Formula: C19H17BrN2O4S2 MolecularWeight: 481.38328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O4S2/c1-2-11-22-18(23)16-5-3-4-6-17(16)21-19(22)27-12-13-28(24,25)26-15-9-7-14(20)8-10-15/h2-10H,1,11-13H2