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

Systemtic Name: 5-[(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(2-keto-7-methoxy-1,3-benzoxathiol-5-yl)methylene]barbituric acid Formula: C13H8N2O6S MolecularWeight: 320.27742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N2O6S/c1-20-7-3-5(4-8-9(7)21-13(19)22-8)2-6-10(16)14-12(18)15-11(6)17/h2-4H,1H3,(H2,14,15,16,17,18)