1-(2-methylsulfanylphenyl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(2-methylsulfanylphenyl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(2-methylsulfanylbenzoyl)piperidine-4-carboxylic acid CAS Name: 1-[[2-(methylthio)phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-methylsulfanylbenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-[2-(methylthio)benzoyl]isonipecotic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)O

InChI

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