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

Systemtic Name: methyl 2-[2-(4-acetyloxy-3-methoxy-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]ethanoate Openeye Name: methyl 2-[2-(4-acetoxy-3-methoxy-phenyl)-3-methylsulfanyl-benzofuran-5-yl]acetate CAS Name: 2-[2-(4-acetyloxy-3-methoxyphenyl)-3-(methylthio)-5-benzofuranyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-acetyloxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetate Traditional Name: 2-[2-(4-acetoxy-3-methoxy-phenyl)-3-(methylthio)benzofuran-5-yl]acetic acid methyl ester Formula: C21H20O6S MolecularWeight: 400.4449

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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)CC(=O)OC)SC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20O6S/c1-12(22)26-17-8-6-14(11-18(17)24-2)20-21(28-4)15-9-13(10-19(23)25-3)5-7-16(15)27-20/h5-9,11H,10H2,1-4H3