3-[(3,4-dimethoxyphenyl)methyl]-3-(2-sulfanylethylsulfanyl)-2-benzofuran-1-one

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-3-(2-sulfanylethylsulfanyl)-2-benzofuran-1-one Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-3-(2-sulfanylethylsulfanyl)isobenzofuran-1-one CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-3-(2-mercaptoethylthio)-1-isobenzofuranone IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-3-(2-sulfanylethylsulfanyl)-2-benzofuran-1-one Traditional Name: 3-(2-mercaptoethylthio)-3-veratryl-phthalide Formula: C19H20O4S2 MolecularWeight: 376.4897

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2(C3=CC=CC=C3C(=O)O2)SCCS)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2(C3=CC=CC=C3C(=O)O2)SCCS)OC

InChI

InChI=1S/C19H20O4S2/c1-21-16-8-7-13(11-17(16)22-2)12-19(25-10-9-24)15-6-4-3-5-14(15)18(20)23-19/h3-8,11,24H,9-10,12H2,1-2H3