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

Systemtic Name: 7-(isoquinolin-1-ylsulfanylmethyl)-4,5,6-trimethoxy-3H-2-benzofuran-1-one Openeye Name: 7-(1-isoquinolylsulfanylmethyl)-4,5,6-trimethoxy-3H-isobenzofuran-1-one CAS Name: 7-[(1-isoquinolinylthio)methyl]-4,5,6-trimethoxy-3H-isobenzofuran-1-one IUPAC Name: 7-(isoquinolin-1-ylsulfanylmethyl)-4,5,6-trimethoxy-3H-2-benzofuran-1-one Traditional Name: 7-[(1-isoquinolylthio)methyl]-4,5,6-trimethoxy-phthalide Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1COC2=O)CSC3=NC=CC4=CC=CC=C43)OC)OC

Isomeric SMILES

COC1=C(C(=C(C2=C1COC2=O)CSC3=NC=CC4=CC=CC=C43)OC)OC

InChI

InChI=1S/C21H19NO5S/c1-24-17-14-10-27-21(23)16(14)15(18(25-2)19(17)26-3)11-28-20-13-7-5-4-6-12(13)8-9-22-20/h4-9H,10-11H2,1-3H3