(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-fluorophenyl)sulfanylpropanoate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-fluorophenyl)sulfanylpropanoate CAS Name: 2-[(4-fluorophenyl)thio]propanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 2-[(4-fluorophenyl)thio]propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester Formula: C17H22FNO2S MolecularWeight: 323.425483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CC2CCC(C1)N2C)SC3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)OC1CC2CCC(C1)N2C)SC3=CC=C(C=C3)F

InChI

InChI=1S/C17H22FNO2S/c1-11(22-16-7-3-12(18)4-8-16)17(20)21-15-9-13-5-6-14(10-15)19(13)2/h3-4,7-8,11,13-15H,5-6,9-10H2,1-2H3