methyl 4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C10H8N2O3S MolecularWeight: 236.24712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)NC(=S)N2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)NC(=S)N2

InChI

InChI=1S/C10H8N2O3S/c1-15-9(14)5-2-3-6-7(4-5)11-10(16)12-8(6)13/h2-4H,1H3,(H2,11,12,13,16)