(4-nitrophenyl)methyl 3,3-dimethyl-6-methylsulfonyloxy-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3,3-dimethyl-6-methylsulfonyloxy-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3,3-dimethyl-6-methylsulfonyloxy-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-6-methylsulfonyloxy-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3,3-dimethyl-6-methylsulfonyloxy-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3,3-dimethyl-6-methylsulfonyloxy-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C16H18N2O8S2 MolecularWeight: 430.45272

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)OS(=O)(=O)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)OS(=O)(=O)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H18N2O8S2/c1-16(2)12(17-13(19)11(14(17)27-16)26-28(3,23)24)15(20)25-8-9-4-6-10(7-5-9)18(21)22/h4-7,11-12,14H,8H2,1-3H3