2-[4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]ethanoate

Systemtic Name: 2-[4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]ethanoate Openeye Name: 2-[4-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)phenyl]acetate CAS Name: 2-[4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]acetate IUPAC Name: 2-[4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]acetate Traditional Name: 2-[4-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)phenyl]acetate Formula: C20H19N2O5S- MolecularWeight: 399.44026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)CC(=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)CC(=O)[O-])OCC

InChI

InChI=1S/C20H20N2O5S/c1-3-26-16-10-14-15(11-17(16)27-4-2)21-20(28)22(19(14)25)13-7-5-12(6-8-13)9-18(23)24/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,28)(H,23,24)/p-1