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

Systemtic Name: phenyl 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanesulfonate Openeye Name: phenyl 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylethanesulfonate CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylethanesulfonate Traditional Name: 2-[(3-cyclopropyl-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:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCCS(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCCS(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C19H18N2O4S2/c22-18-16-8-4-5-9-17(16)20-19(21(18)14-10-11-14)26-12-13-27(23,24)25-15-6-2-1-3-7-15/h1-9,14H,10-13H2