5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-keto-4,5-dimethoxy-phthalan-1-yl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H12N2O6S MolecularWeight: 336.31988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)C3C(=O)NC(=S)NC3=O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(OC2=O)C3C(=O)NC(=S)NC3=O)OC

InChI

InChI=1S/C14H12N2O6S/c1-20-6-4-3-5-7(10(6)21-2)13(19)22-9(5)8-11(17)15-14(23)16-12(8)18/h3-4,8-9H,1-2H3,(H2,15,16,17,18,23)