[4-(4,6-dimethoxypyrimidin-2-yl)oxy-3-oxidanylidene-1H-2-benzofuran-1-yl] thiocyanate

Systemtic Name: [4-(4,6-dimethoxypyrimidin-2-yl)oxy-3-oxidanylidene-1H-2-benzofuran-1-yl] thiocyanate Openeye Name: [4-(4,6-dimethoxypyrimidin-2-yl)oxy-3-oxo-1H-isobenzofuran-1-yl] thiocyanate CAS Name: thiocyanic acid [4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-3-oxo-1H-isobenzofuran-1-yl] ester IUPAC Name: [4-(4,6-dimethoxypyrimidin-2-yl)oxy-3-oxo-1H-2-benzofuran-1-yl] thiocyanate Traditional Name: thiocyanic acid [4-(4,6-dimethoxypyrimidin-2-yl)oxy-3-keto-phthalan-1-yl] ester Formula: C15H11N3O5S MolecularWeight: 345.32994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=CC=CC3=C2C(=O)OC3SC#N)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=CC=CC3=C2C(=O)OC3SC#N)OC

InChI

InChI=1S/C15H11N3O5S/c1-20-10-6-11(21-2)18-15(17-10)22-9-5-3-4-8-12(9)13(19)23-14(8)24-7-16/h3-6,14H,1-2H3