(phenylmethyl) 3-(2-nitroethylsulfanyl)-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 3-(2-nitroethylsulfanyl)-7-oxidanylidene-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 3-(2-nitroethylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-(2-nitroethylthio)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-nitroethylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3-(2-nitroethylthio)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)N2C(C1SCC[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C2CC(=O)N2C(C1SCC[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H18N2O5S/c19-14-9-12-8-13(24-7-6-17(21)22)15(18(12)14)16(20)23-10-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2