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

Systemtic Name: phenyl 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanesulfonate Openeye Name: phenyl 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylethanesulfonate CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylethanesulfonate Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCCS(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCCS(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S2/c1-2-3-13-22-19(23)17-11-7-8-12-18(17)21-20(22)27-14-15-28(24,25)26-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3