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

Systemtic Name: phenyl 2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanesulfonate Openeye Name: phenyl 2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylethanesulfonate CAS Name: 2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylethanesulfonate Traditional Name: 2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O4S2/c1-14(2)21-18(22)16-10-6-7-11-17(16)20-19(21)26-12-13-27(23,24)25-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3