ethyl 1-[3-(phenylmethylsulfanyl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(phenylmethylsulfanyl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(3-benzylsulfanylpropanoyl)piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-(phenylmethylthio)propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-benzylsulfanylpropanoyl)piperidine-4-carboxylate Traditional Name: 1-[3-(benzylthio)propanoyl]isonipecotic acid ethyl ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCSCC2=CC=CC=C2

InChI

InChI=1S/C18H25NO3S/c1-2-22-18(21)16-8-11-19(12-9-16)17(20)10-13-23-14-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3