4-(8-oxidanylidene-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanoate

Systemtic Name: 4-(8-oxidanylidene-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanoate Openeye Name: 4-(8-oxo-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanoate CAS Name: 4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanoate IUPAC Name: 4-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanoate Traditional Name: 4-(8-keto-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butyrate Formula: C13H11N2O5S- MolecularWeight: 307.30184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCCC(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCCC(=O)[O-]

InChI

InChI=1S/C13H12N2O5S/c16-11(17)2-1-3-15-12(18)7-4-9-10(20-6-19-9)5-8(7)14-13(15)21/h4-5H,1-3,6H2,(H,14,21)(H,16,17)/p-1