[2-(1,3-benzodioxol-5-yl)-4-methyl-6-sulfanylidene-pyrimidin-5-ylidene]-methoxy-methanolate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-4-methyl-6-sulfanylidene-pyrimidin-5-ylidene]-methoxy-methanolate Openeye Name: [2-(1,3-benzodioxol-5-yl)-4-methyl-6-thioxo-pyrimidin-5-ylidene]-methoxy-methanolate CAS Name: [2-(1,3-benzodioxol-5-yl)-4-methyl-6-sulfanylidene-5-pyrimidinylidene]-methoxymethanolate IUPAC Name: [2-(1,3-benzodioxol-5-yl)-4-methyl-6-sulfanylidenepyrimidin-5-ylidene]-methoxymethanolate Traditional Name: [2-(1,3-benzodioxol-5-yl)-4-methyl-6-thioxo-pyrimidin-5-ylidene]-methoxy-methanolate Formula: C14H11N2O4S- MolecularWeight: 303.31314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=S)C1=C([O-])OC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=NC(=NC(=S)C1=C([O-])OC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H12N2O4S/c1-7-11(14(17)18-2)13(21)16-12(15-7)8-3-4-9-10(5-8)20-6-19-9/h3-5,17H,6H2,1-2H3/p-1