methyl 1-(2-butylsulfanylethanoyl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(2-butylsulfanylethanoyl)piperidine-4-carboxylate Openeye Name: methyl 1-(2-butylsulfanylacetyl)piperidine-4-carboxylate CAS Name: 1-[2-(butylthio)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-butylsulfanylacetyl)piperidine-4-carboxylate Traditional Name: 1-[2-(butylthio)acetyl]isonipecotic acid methyl ester Formula: C13H23NO3S MolecularWeight: 273.39162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23NO3S/c1-3-4-9-18-10-12(15)14-7-5-11(6-8-14)13(16)17-2/h11H,3-10H2,1-2H3