ethyl 1-[2-(4-methylphenyl)sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(4-methylphenyl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(p-tolylsulfanyl)acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[(4-methylphenyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methylphenyl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-(p-tolylthio)acetyl]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)CSC2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3S/c1-3-21-17(20)14-5-4-10-18(11-14)16(19)12-22-15-8-6-13(2)7-9-15/h6-9,14H,3-5,10-12H2,1-2H3