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

Systemtic Name: methyl 3-[2-(4-acetyloxy-3-methoxy-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]propanoate Openeye Name: methyl 3-[2-(4-acetoxy-3-methoxy-phenyl)-3-methylsulfanyl-benzofuran-5-yl]propanoate CAS Name: 3-[2-(4-acetyloxy-3-methoxyphenyl)-3-(methylthio)-5-benzofuranyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-acetyloxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]propanoate Traditional Name: 3-[2-(4-acetoxy-3-methoxy-phenyl)-3-(methylthio)benzofuran-5-yl]propionic acid methyl ester Formula: C22H22O6S MolecularWeight: 414.47148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)CCC(=O)OC)SC)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)CCC(=O)OC)SC)OC

InChI

InChI=1S/C22H22O6S/c1-13(23)27-18-9-7-15(12-19(18)25-2)21-22(29-4)16-11-14(5-8-17(16)28-21)6-10-20(24)26-3/h5,7-9,11-12H,6,10H2,1-4H3