diethyl 2-methylsulfanyl-4-oxidanylidene-1H-quinazoline-6,7-dicarboxylate

Systemtic Name: diethyl 2-methylsulfanyl-4-oxidanylidene-1H-quinazoline-6,7-dicarboxylate Openeye Name: diethyl 2-methylsulfanyl-4-oxo-1H-quinazoline-6,7-dicarboxylate CAS Name: 2-(methylthio)-4-oxo-1H-quinazoline-6,7-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methylsulfanyl-4-oxo-1H-quinazoline-6,7-dicarboxylate Traditional Name: 4-keto-2-(methylthio)-1H-quinazoline-6,7-dicarboxylic acid diethyl ester Formula: C15H16N2O5S MolecularWeight: 336.36294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C(=C1)C(=O)N=C(N2)SC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C=C2C(=C1)C(=O)N=C(N2)SC)C(=O)OCC

InChI

InChI=1S/C15H16N2O5S/c1-4-21-13(19)8-6-10-11(7-9(8)14(20)22-5-2)16-15(23-3)17-12(10)18/h6-7H,4-5H2,1-3H3,(H,16,17,18)