[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-pyridin-2-ylsulfanylpropanoate

Systemtic Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-pyridin-2-ylsulfanylpropanoate Openeye Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-(2-pyridylsulfanyl)propanoate CAS Name: 2-(2-pyridinylthio)propanoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-pyridin-2-ylsulfanylpropanoate Traditional Name: 2-(2-pyridylthio)propionic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CC2CCC(C1)N2C)SC3=CC=CC=N3

Isomeric SMILES

CC(C(=O)OC1C[C@H]2CC[C@@H](C1)N2C)SC3=CC=CC=N3

InChI

InChI=1S/C16H22N2O2S/c1-11(21-15-5-3-4-8-17-15)16(19)20-14-9-12-6-7-13(10-14)18(12)2/h3-5,8,11-14H,6-7,9-10H2,1-2H3/t11?,12-,13+,14?