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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C20H18O4S2 MolecularWeight: 386.48452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

InChI

InChI=1S/C20H18O4S2/c1-12-14-5-3-4-6-15(14)23-18(12)19(21)24-16-8-7-13(11-17(16)22-2)20-25-9-10-26-20/h3-8,11,20H,9-10H2,1-2H3