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

Systemtic Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-methylphenyl)sulfanylpropanoate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(p-tolylsulfanyl)propanoate CAS Name: 2-[(4-methylphenyl)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-methylphenyl)sulfanylpropanoate Traditional Name: 2-(p-tolylthio)propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)OC2CC3CCC(C2)N3C

Isomeric SMILES

CC1=CC=C(C=C1)SC(C)C(=O)OC2CC3CCC(C2)N3C

InChI

InChI=1S/C18H25NO2S/c1-12-4-8-17(9-5-12)22-13(2)18(20)21-16-10-14-6-7-15(11-16)19(14)3/h4-5,8-9,13-16H,6-7,10-11H2,1-3H3