[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4,5-trimethoxyphenyl)acrylic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C21H22O6S MolecularWeight: 402.46078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)OCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H22O6S/c1-24-18-11-14(12-19(25-2)21(18)26-3)5-10-20(23)27-13-17(22)15-6-8-16(28-4)9-7-15/h5-12H,13H2,1-4H3/b10-5+