methyl 3-acetamido-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-acetamido-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-acetamido-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-acetamido-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-acetamido-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C12H11N3O4S MolecularWeight: 293.29844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S

Isomeric SMILES

CC(=O)NN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S

InChI

InChI=1S/C12H11N3O4S/c1-6(16)14-15-10(17)8-4-3-7(11(18)19-2)5-9(8)13-12(15)20/h3-5H,1-2H3,(H,13,20)(H,14,16)