4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid

Systemtic Name: 4-(6,7-diethoxy-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid Openeye Name: 4-(6,7-diethoxy-4-oxo-2-thioxo-1H-quinazolin-3-yl)butanoic acid CAS Name: 4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid IUPAC Name: 4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanoic acid Traditional Name: 4-(6,7-diethoxy-4-keto-2-thioxo-1H-quinazolin-3-yl)butyric acid Formula: C16H20N2O5S MolecularWeight: 352.4054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCCC(=O)O)OCC

InChI

InChI=1S/C16H20N2O5S/c1-3-22-12-8-10-11(9-13(12)23-4-2)17-16(24)18(15(10)21)7-5-6-14(19)20/h8-9H,3-7H2,1-2H3,(H,17,24)(H,19,20)