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

Systemtic Name: 1-(2-butylsulfanylethanoyl)piperidine-4-carboxylic acid Openeye Name: 1-(2-butylsulfanylacetyl)piperidine-4-carboxylic acid CAS Name: 1-[2-(butylthio)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-butylsulfanylacetyl)piperidine-4-carboxylic acid Traditional Name: 1-[2-(butylthio)acetyl]isonipecotic acid Formula: C12H21NO3S MolecularWeight: 259.36504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)N1CCC(CC1)C(=O)O

Isomeric SMILES

CCCCSCC(=O)N1CCC(CC1)C(=O)O

InChI

InChI=1S/C12H21NO3S/c1-2-3-8-17-9-11(14)13-6-4-10(5-7-13)12(15)16/h10H,2-9H2,1H3,(H,15,16)