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

Systemtic Name: (phenylmethyl) 2-[2-(3-methoxy-4-oxidanyl-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]propanoate Openeye Name: benzyl 2-[2-(4-hydroxy-3-methoxy-phenyl)-3-methylsulfanyl-benzofuran-5-yl]propanoate CAS Name: 2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methylthio)-5-benzofuranyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]propanoate Traditional Name: 2-[2-(4-hydroxy-3-methoxy-phenyl)-3-(methylthio)benzofuran-5-yl]propionic acid benzyl ester Formula: C26H24O5S MolecularWeight: 448.53076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OC(=C2SC)C3=CC(=C(C=C3)O)OC)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC2=C(C=C1)OC(=C2SC)C3=CC(=C(C=C3)O)OC)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H24O5S/c1-16(26(28)30-15-17-7-5-4-6-8-17)18-10-12-22-20(13-18)25(32-3)24(31-22)19-9-11-21(27)23(14-19)29-2/h4-14,16,27H,15H2,1-3H3