(phenylmethyl) (2S,5R)-7-oxidanylidene-6-thiophen-2-ylsulfonyloxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate

Systemtic Name: (phenylmethyl) (2S,5R)-7-oxidanylidene-6-thiophen-2-ylsulfonyloxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate Openeye Name: benzyl (2S,5R)-7-oxo-6-(2-thienylsulfonyloxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxylate CAS Name: (2S,5R)-7-oxo-6-thiophen-2-ylsulfonyloxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,5R)-7-oxo-6-thiophen-2-ylsulfonyloxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate Traditional Name: (2S,5R)-7-keto-6-(2-thienylsulfonyloxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid benzyl ester Formula: C18H18N2O6S2 MolecularWeight: 422.47532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2CC1N(C2=O)OS(=O)(=O)C3=CC=CS3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)C3=CC=CS3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C18H18N2O6S2/c21-17(25-12-13-5-2-1-3-6-13)15-9-8-14-11-19(15)18(22)20(14)26-28(23,24)16-7-4-10-27-16/h1-7,10,14-15H,8-9,11-12H2/t14-,15+/m1/s1