methyl 8-methyl-3-(4-phenoxyphenyl)sulfanyl-8-azabicyclo[3.2.1]octane-3-carboxylate

Systemtic Name: methyl 8-methyl-3-(4-phenoxyphenyl)sulfanyl-8-azabicyclo[3.2.1]octane-3-carboxylate Openeye Name: methyl 8-methyl-3-(4-phenoxyphenyl)sulfanyl-8-azabicyclo[3.2.1]octane-3-carboxylate CAS Name: 8-methyl-3-[(4-phenoxyphenyl)thio]-8-azabicyclo[3.2.1]octane-3-carboxylic acid methyl ester IUPAC Name: methyl 8-methyl-3-(4-phenoxyphenyl)sulfanyl-8-azabicyclo[3.2.1]octane-3-carboxylate Traditional Name: 8-methyl-3-[(4-phenoxyphenyl)thio]-8-azabicyclo[3.2.1]octane-3-carboxylic acid methyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(C2)(C(=O)OC)SC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1C2CCC1CC(C2)(C(=O)OC)SC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H25NO3S/c1-23-16-8-9-17(23)15-22(14-16,21(24)25-2)27-20-12-10-19(11-13-20)26-18-6-4-3-5-7-18/h3-7,10-13,16-17H,8-9,14-15H2,1-2H3