(4-nitrophenyl)methyl 7-oxidanylidene-3-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 7-oxidanylidene-3-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 7-oxo-3-thioxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 7-oxo-3-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 7-oxo-3-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3-thioxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C13H10N2O5S2 MolecularWeight: 338.3589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(C(=S)S2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2N(C1=O)C(C(=S)S2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O5S2/c16-9-5-10-14(9)11(13(21)22-10)12(17)20-6-7-1-3-8(4-2-7)15(18)19/h1-4,10-11H,5-6H2