(4-nitrophenyl)methyl (2S,5R)-3-methylsulfonyl-7-oxidanylidene-3-phenyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,5R)-3-methylsulfonyl-7-oxidanylidene-3-phenyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,5R)-3-methylsulfonyl-7-oxo-3-phenyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,5R)-3-methylsulfonyl-7-oxo-3-phenyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,5R)-3-methylsulfonyl-7-oxo-3-phenyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,5R)-7-keto-3-mesyl-3-phenyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C20H18N2O7S2 MolecularWeight: 462.49612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1(C(N2C(S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1([C@@H](N2[C@H](S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H18N2O7S2/c1-31(27,28)20(14-5-3-2-4-6-14)18(21-16(23)11-17(21)30-20)19(24)29-12-13-7-9-15(10-8-13)22(25)26/h2-10,17-18H,11-12H2,1H3/t17-,18+,20?/m1/s1