2-[4-[(E)-3-(4-methoxy-2-sulfanyl-phenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[(E)-3-(4-methoxy-2-sulfanyl-phenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[(E)-3-(4-methoxy-2-sulfanyl-phenyl)-3-oxo-prop-1-enyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[(E)-3-(2-mercapto-4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[(E)-3-(4-methoxy-2-sulfanylphenyl)-3-oxoprop-1-enyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[(E)-3-keto-3-(2-mercapto-4-methoxy-phenyl)prop-1-enyl]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=CC(=O)C2=C(C=C(C=C2)OC)S

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)S

InChI

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