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

Systemtic Name: 2-methyl-2-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]sulfanyl-propanoic acid Openeye Name: 2-methyl-2-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]sulfanyl-propanoic acid CAS Name: 2-methyl-2-[[4-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]phenyl]thio]propanoic acid IUPAC Name: 2-methyl-2-[4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]phenyl]sulfanylpropanoic acid Traditional Name: 2-methyl-2-[[4-[(E)-3-[4-(methylthio)phenyl]acryloyl]phenyl]thio]propionic acid Formula: C20H20O3S2 MolecularWeight: 372.501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)(C(=O)O)SC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C20H20O3S2/c1-20(2,19(22)23)25-17-11-7-15(8-12-17)18(21)13-6-14-4-9-16(24-3)10-5-14/h4-13H,1-3H3,(H,22,23)/b13-6+