[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H20O5S2 MolecularWeight: 416.5105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OC3=C(C=C(C=C3)C4SCCS4)OC

InChI

InChI=1S/C21H20O5S2/c1-12-15-11-14(23-2)5-7-16(15)25-19(12)20(22)26-17-6-4-13(10-18(17)24-3)21-27-8-9-28-21/h4-7,10-11,21H,8-9H2,1-3H3