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

Systemtic Name: 2-methyl-2-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]-3-oxidanyl-phenoxy]propanoic acid Openeye Name: 2-[3-hydroxy-4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-hydroxy-4-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-hydroxy-4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-hydroxy-4-[(E)-3-[4-(methylthio)phenyl]acryloyl]phenoxy]-2-methyl-propionic acid Formula: C20H20O5S MolecularWeight: 372.4348

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20O5S/c1-20(2,19(23)24)25-14-7-10-16(18(22)12-14)17(21)11-6-13-4-8-15(26-3)9-5-13/h4-12,22H,1-3H3,(H,23,24)/b11-6+