ethyl 1-(2-ethylsulfanylphenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(2-ethylsulfanylphenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(2-ethylsulfanylbenzoyl)piperidine-3-carboxylate CAS Name: 1-[[2-(ethylthio)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-ethylsulfanylbenzoyl)piperidine-3-carboxylate Traditional Name: 1-[2-(ethylthio)benzoyl]nipecotic acid ethyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC=C2SCC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC=C2SCC

InChI

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