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

Systemtic Name: (4-nitrophenyl)methyl (1S,4S)-3-oxidanylidene-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate Openeye Name: (4-nitrophenyl)methyl (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 (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (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 (4-nitrobenzyl) ester Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(C1C(=O)S2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5S/c16-12-11-5-10(21-12)6-14(11)13(17)20-7-8-1-3-9(4-2-8)15(18)19/h1-4,10-11H,5-7H2/t10-,11-/m0/s1