ethyl 1-(2-pentylsulfanylpyridin-3-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-pentylsulfanylpyridin-3-yl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(2-pentylsulfanylpyridine-3-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo-[2-(pentylthio)-3-pyridinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-pentylsulfanylpyridine-3-carbonyl)piperidine-4-carboxylate Traditional Name: 1-[2-(amylthio)nicotinoyl]isonipecotic acid ethyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C19H28N2O3S/c1-3-5-6-14-25-17-16(8-7-11-20-17)18(22)21-12-9-15(10-13-21)19(23)24-4-2/h7-8,11,15H,3-6,9-10,12-14H2,1-2H3