4,5,6-trimethoxy-7-(pyrimidin-2-ylsulfanylmethyl)-3H-2-benzofuran-1-one

Systemtic Name: 4,5,6-trimethoxy-7-(pyrimidin-2-ylsulfanylmethyl)-3H-2-benzofuran-1-one Openeye Name: 4,5,6-trimethoxy-7-(pyrimidin-2-ylsulfanylmethyl)-3H-isobenzofuran-1-one CAS Name: 4,5,6-trimethoxy-7-[(2-pyrimidinylthio)methyl]-3H-isobenzofuran-1-one IUPAC Name: 4,5,6-trimethoxy-7-(pyrimidin-2-ylsulfanylmethyl)-3H-2-benzofuran-1-one Traditional Name: 4,5,6-trimethoxy-7-[(2-pyrimidylthio)methyl]phthalide Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1COC2=O)CSC3=NC=CC=N3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C2=C1COC2=O)CSC3=NC=CC=N3)OC)OC

InChI

InChI=1S/C16H16N2O5S/c1-20-12-9-7-23-15(19)11(9)10(13(21-2)14(12)22-3)8-24-16-17-5-4-6-18-16/h4-6H,7-8H2,1-3H3