phenyl 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanesulfonate

Systemtic Name: phenyl 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanesulfonate Openeye Name: phenyl 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylethanesulfonate CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylethanesulfonate Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S2/c1-16(2)12-13-23-20(24)18-10-6-7-11-19(18)22-21(23)28-14-15-29(25,26)27-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3