benzoylthiomethylecgonine benzoylthiomethylecgonine benzoylthiomethylecgonine is a cocaine analog which includes a sulfur in replacement of an oxygen on the single bonded benzoyl ester, resulting in lower electronegativity than the parent compound. benzoylthiomethylecgonine names iupac name methyl 3β-(benzoylsulfanyl)tropane-2β-carboxylate systematic iupac name methyl (1r,2s,3s,5s)-3-(benzoylsulfanyl)-8-methyl-8-azabicyclooctane-2-carboxylate identifiers cas number 287488-21-5 y 3d model (jsmol) interactive image chemspider 26286895 pubchem cid 101171127 unii bm47eq4lcd y inchi inchi=1s/c17h21no3s/c1-18-12-8-9-13(18)15(16(19)21-2)14(10-12)22-17(20)11-6-4-3-5-7-11/h3-7,12-15h,8-10h2,1-2h3/t12-,13+,14-,15+/m0/s1key: pkdhufyoprgleu-ljispdsosa-ninchi=1/c17h21no3s/c1-18-12-8-9-13(18)15(16(19)21-2)14(10-12)22-17(20)11-6-4-3-5-7-11/h3-7,12-15h,8-10h2,1-2h3/t12-,13+,14-,15+/m0/s1key: pkdhufyoprgleu-ljispdsobr smiles cn12cc1((c2)sc(=o)c3ccccc3)c(=o)oc properties chemical formula c17h21no3s molar mass 319.42 g·mol−1 except where otherwise noted, data are given for materials in their standard state (at 25 °c , 100 kpa). infobox references