1-(2-methylsulfanylphenyl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(2-methylsulfanylphenyl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(2-methylsulfanylbenzoyl)piperidine-3-carboxylic acid CAS Name: 1-[[2-(methylthio)phenyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(2-methylsulfanylbenzoyl)piperidine-3-carboxylic acid Traditional Name: 1-[2-(methylthio)benzoyl]nipecotic acid Formula: C14H17NO3S MolecularWeight: 279.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C14H17NO3S/c1-19-12-7-3-2-6-11(12)13(16)15-8-4-5-10(9-15)14(17)18/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,17,18)