diethyl 2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanedioate

Systemtic Name: diethyl 2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanedioate Openeye Name: diethyl 2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropanedioate CAS Name: 2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanedioate Traditional Name: 2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]malonic acid diethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-3-27-19(25)17(20(26)28-4-2)29-21-22-16-13-9-8-12-15(16)18(24)23(21)14-10-6-5-7-11-14/h5-13,17H,3-4H2,1-2H3