ethyl (3S)-1-(2-methylsulfanylpyridin-3-yl)carbonyl-3-(2-phenoxyethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(2-methylsulfanylpyridin-3-yl)carbonyl-3-(2-phenoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(2-methylsulfanylpyridine-3-carbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate CAS Name: (3S)-1-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-3-(2-phenoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2-methylsulfanylpyridine-3-carbonyl)-3-(2-phenoxyethyl)piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(methylthio)nicotinoyl]-3-(2-phenoxyethyl)nipecotic acid ethyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=C(N=CC=C2)SC)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=C(N=CC=C2)SC)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O4S/c1-3-28-22(27)23(13-16-29-18-9-5-4-6-10-18)12-8-15-25(17-23)21(26)19-11-7-14-24-20(19)30-2/h4-7,9-11,14H,3,8,12-13,15-17H2,1-2H3/t23-/m0/s1