2-[[5-[(E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[5-[(E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[5-[(E)-3-(2-bromo-4,5-dimethoxy-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetate CAS Name: 2-[[5-[(E)-3-(2-bromo-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetate IUPAC Name: 2-[[5-[(E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetate Traditional Name: 2-[[5-[(E)-3-(2-bromo-4,5-dimethoxy-phenyl)acryloyl]-2-methoxy-benzyl]thio]acetate Formula: C21H20BrO6S- MolecularWeight: 480.3489

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C=C2Br)OC)OC)CSCC(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2Br)OC)OC)CSCC(=O)[O-]

InChI

InChI=1S/C21H21BrO6S/c1-26-18-7-5-14(8-15(18)11-29-12-21(24)25)17(23)6-4-13-9-19(27-2)20(28-3)10-16(13)22/h4-10H,11-12H2,1-3H3,(H,24,25)/p-1/b6-4+