(4-methylsulfanylphenyl)methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: (4-methylsulfanylphenyl)methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,4,5-trimethoxyphenyl)-2-propenoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-asarylacrylic acid [4-(methylthio)benzyl] ester Formula: C20H22O5S MolecularWeight: 374.45068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)OCC2=CC=C(C=C2)SC)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)OCC2=CC=C(C=C2)SC)OC)OC

InChI

InChI=1S/C20H22O5S/c1-22-17-12-19(24-3)18(23-2)11-15(17)7-10-20(21)25-13-14-5-8-16(26-4)9-6-14/h5-12H,13H2,1-4H3/b10-7+