1-[2-(2-methylphenyl)sulfanylethanoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[2-(2-methylphenyl)sulfanylethanoyl]piperidine-2-carboxylic acid Openeye Name: 1-[2-(o-tolylsulfanyl)acetyl]piperidine-2-carboxylic acid CAS Name: 1-[2-[(2-methylphenyl)thio]-1-oxoethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-2-carboxylic acid Traditional Name: 1-[2-(o-tolylthio)acetyl]pipecolinic acid Formula: C15H19NO3S MolecularWeight: 293.38126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CCCCC2C(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CCCCC2C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-11-6-2-3-8-13(11)20-10-14(17)16-9-5-4-7-12(16)15(18)19/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,18,19)