[(5R,8S)-5-benzamido-8-oxidanyl-7-thiabicyclo[3.2.1]octan-2-yl] benzoate

Systemtic Name: [(5R,8S)-5-benzamido-8-oxidanyl-7-thiabicyclo[3.2.1]octan-2-yl] benzoate Openeye Name: [(5R,8S)-5-benzamido-8-hydroxy-7-thiabicyclo[3.2.1]octan-2-yl] benzoate CAS Name: benzoic acid [(5R,8S)-5-benzamido-8-hydroxy-7-thiabicyclo[3.2.1]octan-2-yl] ester IUPAC Name: [(5R,8S)-5-benzamido-8-hydroxy-7-thiabicyclo[3.2.1]octan-2-yl] benzoate Traditional Name: benzoic acid [(5R,8S)-5-benzamido-8-hydroxy-7-thiabicyclo[3.2.1]octan-2-yl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CSC(C1OC(=O)C3=CC=CC=C3)C2O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@]2(CSC([C@H]2O)C1OC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO4S/c23-18-17-16(26-20(25)15-9-5-2-6-10-15)11-12-21(18,13-27-17)22-19(24)14-7-3-1-4-8-14/h1-10,16-18,23H,11-13H2,(H,22,24)/t16?,17?,18-,21+/m1/s1