methyl 6-(4-bromophenyl)-8-methylsulfanyl-4,5-dihydrobenzo[e][1]benzofuran-9-carboxylate

Systemtic Name: methyl 6-(4-bromophenyl)-8-methylsulfanyl-4,5-dihydrobenzo[e][1]benzofuran-9-carboxylate Openeye Name: methyl 6-(4-bromophenyl)-8-methylsulfanyl-4,5-dihydrobenzo[e]benzofuran-9-carboxylate CAS Name: 6-(4-bromophenyl)-8-(methylthio)-4,5-dihydrobenzo[e]benzofuran-9-carboxylic acid methyl ester IUPAC Name: methyl 6-(4-bromophenyl)-8-methylsulfanyl-4,5-dihydrobenzo[e][1]benzofuran-9-carboxylate Traditional Name: 6-(4-bromophenyl)-8-(methylthio)-4,5-dihydrobenzo[e]benzofuran-9-carboxylic acid methyl ester Formula: C21H17BrO3S MolecularWeight: 429.32688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1C3=C(CC2)OC=C3)C4=CC=C(C=C4)Br)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1C3=C(CC2)OC=C3)C4=CC=C(C=C4)Br)SC

InChI

InChI=1S/C21H17BrO3S/c1-24-21(23)20-18(26-2)11-16(12-3-5-13(22)6-4-12)14-7-8-17-15(19(14)20)9-10-25-17/h3-6,9-11H,7-8H2,1-2H3