2-(6,7-dimethoxy-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: 2-(6,7-dimethoxy-4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoate Openeye Name: 2-(6,7-dimethoxy-4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(6,7-dimethoxy-4-oxo-3-phenyl-2-quinazolinyl)thio]acetate IUPAC Name: 2-(6,7-dimethoxy-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-6,7-dimethoxy-3-phenyl-quinazolin-2-yl)thio]acetate Formula: C18H15N2O5S- MolecularWeight: 371.3871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC(=O)[O-])C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)SCC(=O)[O-])C3=CC=CC=C3)OC

InChI

InChI=1S/C18H16N2O5S/c1-24-14-8-12-13(9-15(14)25-2)19-18(26-10-16(21)22)20(17(12)23)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,21,22)/p-1