(1S,4S,5R)-8-methyl-4-[(S)-oxidanyl(thiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one

Systemtic Name: (1S,4S,5R)-8-methyl-4-[(S)-oxidanyl(thiophen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one Openeye Name: (1S,4S,5R)-4-[(S)-hydroxy(2-thienyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one CAS Name: (1S,4S,5R)-4-[(S)-hydroxy(thiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one IUPAC Name: (1S,4S,5R)-4-[(S)-hydroxy(thiophen-2-yl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one Traditional Name: (1S,4S,5R)-4-[(S)-hydroxy(2-thienyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(=O)C2)C(C3=CC=CS3)O

Isomeric SMILES

CN1[C@H]2CC[C@@H]1[C@H](C(=O)C2)[C@@H](C3=CC=CS3)O

InChI

InChI=1S/C13H17NO2S/c1-14-8-4-5-9(14)12(10(15)7-8)13(16)11-3-2-6-17-11/h2-3,6,8-9,12-13,16H,4-5,7H2,1H3/t8-,9+,12+,13+/m0/s1