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

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[2-methoxy-5-[(E)-3-(p-tolyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[2-methoxy-5-[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]phenyl]methylthio]acetic acid IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[2-methoxy-5-[(E)-3-(p-tolyl)acryloyl]benzyl]thio]acetic acid Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O

InChI

InChI=1S/C20H20O4S/c1-14-3-5-15(6-4-14)7-9-18(21)16-8-10-19(24-2)17(11-16)12-25-13-20(22)23/h3-11H,12-13H2,1-2H3,(H,22,23)/b9-7+