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

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

CC([N+](=O)[O-])SC1CC2CC(=O)N2C1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC([N+](=O)[O-])SC1CC2CC(=O)N2C1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H18N2O5S/c1-10(18(21)22)24-13-7-12-8-14(19)17(12)15(13)16(20)23-9-11-5-3-2-4-6-11/h2-6,10,12-13,15H,7-9H2,1H3