2-[[2-methoxy-5-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(3-allyloxyphenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-1-oxo-3-(3-prop-2-enoxyphenyl)prop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(3-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(3-allyloxyphenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=CC=C2)OCC=C)CSCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)OCC=C)CSCC(=O)O

InChI

InChI=1S/C22H22O5S/c1-3-11-27-19-6-4-5-16(12-19)7-9-20(23)17-8-10-21(26-2)18(13-17)14-28-15-22(24)25/h3-10,12-13H,1,11,14-15H2,2H3,(H,24,25)/b9-7+