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

Systemtic Name: methyl 3-(4-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(4-methoxyphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(4-methoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H14N2O4S MolecularWeight: 342.36906

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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)OC)NC2=S

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O4S/c1-22-12-6-4-11(5-7-12)19-15(20)13-8-3-10(16(21)23-2)9-14(13)18-17(19)24/h3-9H,1-2H3,(H,18,24)