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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-(6-methyl-1-benzofuran-3-yl)ethanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-(6-methylbenzofuran-3-yl)acetate CAS Name: 2-(6-methyl-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-methyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methylbenzofuran-3-yl)acetic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H20O4S2 MolecularWeight: 400.5111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

InChI

InChI=1S/C21H20O4S2/c1-13-3-5-16-15(12-24-18(16)9-13)11-20(22)25-17-6-4-14(10-19(17)23-2)21-26-7-8-27-21/h3-6,9-10,12,21H,7-8,11H2,1-2H3