2-[[2-methoxy-5-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[2-methoxy-5-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[2-methoxy-5-[(E)-3-(m-tolyl)prop-2-enoyl]phenyl]methylsulfanyl]acetate CAS Name: 2-[[2-methoxy-5-[(E)-3-(3-methylphenyl)-1-oxoprop-2-enyl]phenyl]methylthio]acetate IUPAC Name: 2-[[2-methoxy-5-[(E)-3-(3-methylphenyl)prop-2-enoyl]phenyl]methylsulfanyl]acetate Traditional Name: 2-[[2-methoxy-5-[(E)-3-(m-tolyl)acryloyl]benzyl]thio]acetate Formula: C20H19O4S- MolecularWeight: 355.42746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20O4S/c1-14-4-3-5-15(10-14)6-8-18(21)16-7-9-19(24-2)17(11-16)12-25-13-20(22)23/h3-11H,12-13H2,1-2H3,(H,22,23)/p-1/b8-6+