ethyl 1-[2-(4-methylphenyl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-methylphenyl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(p-tolylsulfanyl)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-methylphenyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(p-tolylthio)acetyl]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)CSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=CC=C(C=C2)C

InChI

InChI=1S/C17H23NO3S/c1-3-21-17(20)14-8-10-18(11-9-14)16(19)12-22-15-6-4-13(2)5-7-15/h4-7,14H,3,8-12H2,1-2H3