3-[2-(ethanoylsulfanylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(ethanoylsulfanylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-(acetylsulfanylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[(acetylthio)methyl]phenyl]propanoic acid IUPAC Name: 3-[2-(acetylsulfanylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[(acetylthio)methyl]phenyl]propionic acid Formula: C12H14O3S MolecularWeight: 238.30276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC=CC=C1CCC(=O)O

Isomeric SMILES

CC(=O)SCC1=CC=CC=C1CCC(=O)O

InChI

InChI=1S/C12H14O3S/c1-9(13)16-8-11-5-3-2-4-10(11)6-7-12(14)15/h2-5H,6-8H2,1H3,(H,14,15)