ethyl 1-(2-ethylsulfanylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-ethylsulfanylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(2-ethylsulfanylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[[2-(ethylthio)phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-ethylsulfanylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-[2-(ethylthio)benzoyl]isonipecotic acid ethyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2SCC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2SCC

InChI

InChI=1S/C17H23NO3S/c1-3-21-17(20)13-9-11-18(12-10-13)16(19)14-7-5-6-8-15(14)22-4-2/h5-8,13H,3-4,9-12H2,1-2H3