methyl 8-methylsulfanyl-6,7-diphenyl-4,5-dihydrobenzo[e][1]benzofuran-9-carboxylate

Systemtic Name: methyl 8-methylsulfanyl-6,7-diphenyl-4,5-dihydrobenzo[e][1]benzofuran-9-carboxylate Openeye Name: methyl 8-methylsulfanyl-6,7-diphenyl-4,5-dihydrobenzo[e]benzofuran-9-carboxylate CAS Name: 8-(methylthio)-6,7-diphenyl-4,5-dihydrobenzo[e]benzofuran-9-carboxylic acid methyl ester IUPAC Name: methyl 8-methylsulfanyl-6,7-diphenyl-4,5-dihydrobenzo[e][1]benzofuran-9-carboxylate Traditional Name: 8-(methylthio)-6,7-diphenyl-4,5-dihydrobenzo[e]benzofuran-9-carboxylic acid methyl ester Formula: C27H22O3S MolecularWeight: 426.52678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C2=C1C3=C(CC2)OC=C3)C4=CC=CC=C4)C5=CC=CC=C5)SC

Isomeric SMILES

COC(=O)C1=C(C(=C(C2=C1C3=C(CC2)OC=C3)C4=CC=CC=C4)C5=CC=CC=C5)SC

InChI

InChI=1S/C27H22O3S/c1-29-27(28)25-24-19-15-16-30-21(19)14-13-20(24)22(17-9-5-3-6-10-17)23(26(25)31-2)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3