[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-(6-methoxy-1-benzofuran-3-yl)ethanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-(6-methoxy-1-benzofuran-3-yl)ethanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-(6-methoxybenzofuran-3-yl)acetate CAS Name: 2-(6-methoxy-3-benzofuranyl)acetic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methoxybenzofuran-3-yl)acetic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H20O5S2 MolecularWeight: 416.5105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

InChI

InChI=1S/C21H20O5S2/c1-23-15-4-5-16-14(12-25-18(16)11-15)10-20(22)26-17-6-3-13(9-19(17)24-2)21-27-7-8-28-21/h3-6,9,11-12,21H,7-8,10H2,1-2H3