3-(4-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 3-(4-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 3-(4-methoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(4-methoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxylate Formula: C16H11N2O4S- MolecularWeight: 327.33454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O4S/c1-22-11-5-3-10(4-6-11)18-14(19)12-7-2-9(15(20)21)8-13(12)17-16(18)23/h2-8H,1H3,(H,17,23)(H,20,21)/p-1