(4-nitrophenyl)methyl 6-(1-acetyloxyethyl)-7-oxidanylidene-3-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 6-(1-acetyloxyethyl)-7-oxidanylidene-3-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 6-(1-acetoxyethyl)-7-oxo-3-thioxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-(1-acetyloxyethyl)-7-oxo-3-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 6-(1-acetyloxyethyl)-7-oxo-3-sulfanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(1-acetoxyethyl)-7-keto-3-thioxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C17H16N2O7S2 MolecularWeight: 424.44814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O7S2/c1-8(26-9(2)20)12-14(21)18-13(17(27)28-15(12)18)16(22)25-7-10-3-5-11(6-4-10)19(23)24/h3-6,8,12-13,15H,7H2,1-2H3