tert-butyl (1R,5S)-3-(3-methoxyphenyl)sulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: tert-butyl (1R,5S)-3-(3-methoxyphenyl)sulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: tert-butyl (1R,5S)-3-(3-methoxyphenyl)sulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: (1R,5S)-3-[(3-methoxyphenyl)thio]-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,5S)-3-(3-methoxyphenyl)sulfanyl-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: (1R,5S)-3-[(3-methoxyphenyl)thio]-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester Formula: C19H27NO3S MolecularWeight: 349.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CCC1CC(C2)SC3=CC=CC(=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C2)SC3=CC=CC(=C3)OC

InChI

InChI=1S/C19H27NO3S/c1-19(2,3)23-18(21)20-13-8-9-14(20)11-17(10-13)24-16-7-5-6-15(12-16)22-4/h5-7,12-14,17H,8-11H2,1-4H3/t13-,14+,17?