1-(2-methylsulfanylethanoyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2-methylsulfanylethanoyl)piperidine-4-carboxylic acid Openeye Name: 1-(2-methylsulfanylacetyl)piperidine-4-carboxylic acid CAS Name: 1-[2-(methylthio)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-methylsulfanylacetyl)piperidine-4-carboxylic acid Traditional Name: 1-[2-(methylthio)acetyl]isonipecotic acid Formula: C9H15NO3S MolecularWeight: 217.2853

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCC(CC1)C(=O)O

Isomeric SMILES

CSCC(=O)N1CCC(CC1)C(=O)O

InChI

InChI=1S/C9H15NO3S/c1-14-6-8(11)10-4-2-7(3-5-10)9(12)13/h7H,2-6H2,1H3,(H,12,13)