5-[(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(2-keto-7-methoxy-1,3-benzoxathiol-5-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H8N2O5S2 MolecularWeight: 336.34302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)C=C3C(=O)NC(=S)NC3=O)SC(=O)O2

Isomeric SMILES

COC1=C2C(=CC(=C1)C=C3C(=O)NC(=S)NC3=O)SC(=O)O2

InChI

InChI=1S/C13H8N2O5S2/c1-19-7-3-5(4-8-9(7)20-13(18)22-8)2-6-10(16)14-12(21)15-11(6)17/h2-4H,1H3,(H2,14,15,16,17,21)