(4-nitrophenyl)methyl 3-(acetyloxymethyl)-7-azido-3-methylsulfonyloxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(acetyloxymethyl)-7-azido-3-methylsulfonyloxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(acetoxymethyl)-7-azido-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-azido-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(acetyloxymethyl)-7-azido-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-azido-8-keto-3-methylsulfonyloxy-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C18H19N5O10S2 MolecularWeight: 529.50096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CSC2C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N=[N+]=[N-])OS(=O)(=O)C

Isomeric SMILES

CC(=O)OCC1(CSC2C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N=[N+]=[N-])OS(=O)(=O)C

InChI

InChI=1S/C18H19N5O10S2/c1-10(24)32-8-18(33-35(2,29)30)9-34-16-13(20-21-19)15(25)22(16)14(18)17(26)31-7-11-3-5-12(6-4-11)23(27)28/h3-6,13-14,16H,7-9H2,1-2H3