2-[[2-methoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[2-methoxy-5-[(E)-3-(4-methoxyphenyl)acryloyl]benzyl]thio]acetic acid Formula: C20H20O5S MolecularWeight: 372.4348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20O5S/c1-24-17-7-3-14(4-8-17)5-9-18(21)15-6-10-19(25-2)16(11-15)12-26-13-20(22)23/h3-11H,12-13H2,1-2H3,(H,22,23)/b9-5+