2-[[5-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[5-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[5-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetate CAS Name: 2-[[5-[(E)-3-(3,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetate IUPAC Name: 2-[[5-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetate Traditional Name: 2-[[5-[(E)-3-(3,5-dimethoxyphenyl)acryloyl]-2-methoxy-benzyl]thio]acetate Formula: C21H21O6S- MolecularWeight: 401.45284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=CC(=C2)OC)OC)CSCC(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=CC(=C2)OC)OC)CSCC(=O)[O-]

InChI

InChI=1S/C21H22O6S/c1-25-17-8-14(9-18(11-17)26-2)4-6-19(22)15-5-7-20(27-3)16(10-15)12-28-13-21(23)24/h4-11H,12-13H2,1-3H3,(H,23,24)/p-1/b6-4+