[8-methyl-4-(methylsulfanylmethoxymethyl)-8-azabicyclo[3.2.1]octan-3-yl] benzoate

Systemtic Name: [8-methyl-4-(methylsulfanylmethoxymethyl)-8-azabicyclo[3.2.1]octan-3-yl] benzoate Openeye Name: [8-methyl-4-(methylsulfanylmethoxymethyl)-8-azabicyclo[3.2.1]octan-3-yl] benzoate CAS Name: benzoic acid [8-methyl-4-[(methylthio)methoxymethyl]-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-methyl-4-(methylsulfanylmethoxymethyl)-8-azabicyclo[3.2.1]octan-3-yl] benzoate Traditional Name: benzoic acid [8-methyl-4-[(methylthio)methoxymethyl]-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)COCSC

Isomeric SMILES

CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)COCSC

InChI

InChI=1S/C18H25NO3S/c1-19-14-8-9-16(19)15(11-21-12-23-2)17(10-14)22-18(20)13-6-4-3-5-7-13/h3-7,14-17H,8-12H2,1-2H3