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

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(2-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(2-allyloxyphenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-1-oxo-3-(2-prop-2-enoxyphenyl)prop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(2-prop-2-enoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(2-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=C2OCC=C)CSCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=CC=C2OCC=C)CSCC(=O)O

InChI

InChI=1S/C22H22O5S/c1-3-12-27-21-7-5-4-6-16(21)8-10-19(23)17-9-11-20(26-2)18(13-17)14-28-15-22(24)25/h3-11,13H,1,12,14-15H2,2H3,(H,24,25)/b10-8+