(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-methylsulfanylphenoxy)propanoate

Systemtic Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-methylsulfanylphenoxy)propanoate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-methylsulfanylphenoxy)propanoate CAS Name: 2-[4-(methylthio)phenoxy]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-methylsulfanylphenoxy)propanoate Traditional Name: 2-[4-(methylthio)phenoxy]propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CC2CCC(C1)N2C)OC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C(=O)OC1CC2CCC(C1)N2C)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C18H25NO3S/c1-12(21-15-6-8-17(23-3)9-7-15)18(20)22-16-10-13-4-5-14(11-16)19(13)2/h6-9,12-14,16H,4-5,10-11H2,1-3H3