3-(2,5-dimethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 3-(2,5-dimethoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 3-(2,5-dimethoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 3-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(2,5-dimethoxyphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylate Formula: C17H13N2O5S- MolecularWeight: 357.36052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

InChI

InChI=1S/C17H14N2O5S/c1-23-10-4-6-14(24-2)13(8-10)19-15(20)11-5-3-9(16(21)22)7-12(11)18-17(19)25/h3-8H,1-2H3,(H,18,25)(H,21,22)/p-1