ethyl 1-(2-phenylsulfanylethanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(2-phenylsulfanylethanoyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(2-phenylsulfanylacetyl)piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-(phenylthio)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-phenylsulfanylacetyl)piperidine-3-carboxylate Traditional Name: 1-[2-(phenylthio)acetyl]nipecotic acid ethyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C16H21NO3S/c1-2-20-16(19)13-7-6-10-17(11-13)15(18)12-21-14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3