[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 2-phenylsulfanylethanoate

Systemtic Name: [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 2-phenylsulfanylethanoate Openeye Name: [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl ester IUPAC Name: [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [(1R,9aR)-quinolizidin-1-yl]methyl ester Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2CCCC(C2C1)COC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CCN2CCC[C@H]([C@H]2C1)COC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C18H25NO2S/c20-18(14-22-16-8-2-1-3-9-16)21-13-15-7-6-12-19-11-5-4-10-17(15)19/h1-3,8-9,15,17H,4-7,10-14H2/t15-,17+/m0/s1