2-acetyloxy-3-(4-fluorophenyl)sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-acetyloxy-3-(4-fluorophenyl)sulfanyl-2-methyl-propanoic acid Openeye Name: 2-acetoxy-3-(4-fluorophenyl)sulfanyl-2-methyl-propanoic acid CAS Name: 2-acetyloxy-3-[(4-fluorophenyl)thio]-2-methylpropanoic acid IUPAC Name: 2-acetyloxy-3-(4-fluorophenyl)sulfanyl-2-methylpropanoic acid Traditional Name: 2-acetoxy-3-[(4-fluorophenyl)thio]-2-methyl-propionic acid Formula: C12H13FO4S MolecularWeight: 272.292623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(CSC1=CC=C(C=C1)F)C(=O)O

Isomeric SMILES

CC(=O)OC(C)(CSC1=CC=C(C=C1)F)C(=O)O

InChI

InChI=1S/C12H13FO4S/c1-8(14)17-12(2,11(15)16)7-18-10-5-3-9(13)4-6-10/h3-6H,7H2,1-2H3,(H,15,16)