2-[2-fluoranyl-4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[2-fluoranyl-4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]sulfanylethanoic acid Openeye Name: 2-[2-fluoro-4-[(E)-3-(4-isopropylphenyl)prop-2-enoyl]phenyl]sulfanylacetic acid CAS Name: 2-[[2-fluoro-4-[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]phenyl]thio]acetic acid IUPAC Name: 2-[2-fluoro-4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]sulfanylacetic acid Traditional Name: 2-[[2-fluoro-4-[(E)-3-p-cumenylacryloyl]phenyl]thio]acetic acid Formula: C20H19FO3S MolecularWeight: 358.426463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)SCC(=O)O)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)SCC(=O)O)F

InChI

InChI=1S/C20H19FO3S/c1-13(2)15-6-3-14(4-7-15)5-9-18(22)16-8-10-19(17(21)11-16)25-12-20(23)24/h3-11,13H,12H2,1-2H3,(H,23,24)/b9-5+