ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(2-methylsulfanylpyridin-3-yl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(2-methylsulfanylpyridin-3-yl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(2-methylsulfanylpyridine-3-carbonyl)-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2-methylphenyl)methyl]-1-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2-methylbenzyl)-1-[2-(methylthio)nicotinoyl]nipecotic acid ethyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=C(N=CC=C2)SC)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=C(N=CC=C2)SC)CC3=CC=CC=C3C

InChI

InChI=1S/C23H28N2O3S/c1-4-28-22(27)23(15-18-10-6-5-9-17(18)2)12-8-14-25(16-23)21(26)19-11-7-13-24-20(19)29-3/h5-7,9-11,13H,4,8,12,14-16H2,1-3H3/t23-/m0/s1