(phenylmethyl) (1S,4S)-3-oxidanylidene-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate

Systemtic Name: (phenylmethyl) (1S,4S)-3-oxidanylidene-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate Openeye Name: benzyl (1S,4S)-3-oxo-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate CAS Name: (1S,4S)-3-oxo-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,4S)-3-oxo-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate Traditional Name: (1S,4S)-3-keto-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylic acid benzyl ester Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(C1C(=O)S2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1[C@H]2CN([C@@H]1C(=O)S2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C13H13NO3S/c15-12-11-6-10(18-12)7-14(11)13(16)17-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11-/m0/s1