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

Systemtic Name: 3-(8-oxidanylidene-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanoic acid Openeye Name: 3-(8-oxo-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanoic acid CAS Name: 3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanoic acid IUPAC Name: 3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanoic acid Traditional Name: 3-(8-keto-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propionic acid Formula: C12H10N2O5S MolecularWeight: 294.2832

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCC(=O)O

InChI

InChI=1S/C12H10N2O5S/c15-10(16)1-2-14-11(17)6-3-8-9(19-5-18-8)4-7(6)13-12(14)20/h3-4H,1-2,5H2,(H,13,20)(H,15,16)