methyl 3-[2-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]propanoate

Systemtic Name: methyl 3-[2-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]propanoate Openeye Name: methyl 3-[2-(3,4-dimethoxyphenyl)-3-methylsulfanyl-benzofuran-5-yl]propanoate CAS Name: 3-[2-(3,4-dimethoxyphenyl)-3-(methylthio)-5-benzofuranyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]propanoate Traditional Name: 3-[2-(3,4-dimethoxyphenyl)-3-(methylthio)benzofuran-5-yl]propionic acid methyl ester Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)CCC(=O)OC)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C3=C(O2)C=CC(=C3)CCC(=O)OC)SC)OC

InChI

InChI=1S/C21H22O5S/c1-23-17-9-7-14(12-18(17)24-2)20-21(27-4)15-11-13(5-8-16(15)26-20)6-10-19(22)25-3/h5,7-9,11-12H,6,10H2,1-4H3