2-methyl-2-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenoxy]propanoic acid

Systemtic Name: 2-methyl-2-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenoxy]propanoic acid Openeye Name: 2-methyl-2-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenoxy]propanoic acid CAS Name: 2-methyl-2-[4-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]phenoxy]propanoic acid IUPAC Name: 2-methyl-2-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenoxy]propanoic acid Traditional Name: 2-methyl-2-[4-[(E)-3-[4-(methylthio)phenyl]acryloyl]phenoxy]propionic acid Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H20O4S/c1-20(2,19(22)23)24-16-9-7-15(8-10-16)18(21)13-6-14-4-11-17(25-3)12-5-14/h4-13H,1-3H3,(H,22,23)/b13-6+