phenyl 2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanesulfonate

Systemtic Name: phenyl 2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanesulfonate Openeye Name: phenyl 2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylethanesulfonate CAS Name: 2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylethanesulfonate Traditional Name: 2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S2/c1-2-20-17(21)15-10-6-7-11-16(15)19-18(20)25-12-13-26(22,23)24-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3