(phenylmethyl) 2-[2-(3-methoxy-4-oxidanyl-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-(3-methoxy-4-oxidanyl-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]ethanoate Openeye Name: benzyl 2-[2-(4-hydroxy-3-methoxy-phenyl)-3-methylsulfanyl-benzofuran-5-yl]acetate CAS Name: 2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methylthio)-5-benzofuranyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate Traditional Name: 2-[2-(4-hydroxy-3-methoxy-phenyl)-3-(methylthio)benzofuran-5-yl]acetic acid benzyl ester Formula: C25H22O5S MolecularWeight: 434.50418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C3=C(O2)C=CC(=C3)CC(=O)OCC4=CC=CC=C4)SC)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C3=C(O2)C=CC(=C3)CC(=O)OCC4=CC=CC=C4)SC)O

InChI

InChI=1S/C25H22O5S/c1-28-22-14-18(9-10-20(22)26)24-25(31-2)19-12-17(8-11-21(19)30-24)13-23(27)29-15-16-6-4-3-5-7-16/h3-12,14,26H,13,15H2,1-2H3