4-methyl-2-(phenylcarbonylsulfanylmethyl)pentanoic acid

Systemtic Name: 4-methyl-2-(phenylcarbonylsulfanylmethyl)pentanoic acid Openeye Name: 2-(benzoylsulfanylmethyl)-4-methyl-pentanoic acid CAS Name: 2-[(benzoylthio)methyl]-4-methylpentanoic acid IUPAC Name: 2-(benzoylsulfanylmethyl)-4-methylpentanoic acid Traditional Name: 2-[(benzoylthio)methyl]-4-methyl-valeric acid Formula: C14H18O3S MolecularWeight: 266.35592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSC(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)CC(CSC(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H18O3S/c1-10(2)8-12(13(15)16)9-18-14(17)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)