dimethyl 5-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzene-1,3-dicarboxylate CAS Name: 5-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzene-1,3-dicarboxylate Traditional Name: 5-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H14N2O5S MolecularWeight: 370.37916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3NC2=S)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3NC2=S)C(=O)OC

InChI

InChI=1S/C18H14N2O5S/c1-24-16(22)10-7-11(17(23)25-2)9-12(8-10)20-15(21)13-5-3-4-6-14(13)19-18(20)26/h3-9H,1-2H3,(H,19,26)