(4-nitrophenyl)methyl 3-(acetyloxymethyl)-7-azido-6-methylsulfanyl-3-methylsulfonyloxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(acetyloxymethyl)-7-azido-6-methylsulfanyl-3-methylsulfonyloxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(acetoxymethyl)-7-azido-6-methylsulfanyl-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-azido-3-methylsulfonyloxy-6-(methylthio)-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-6-methylsulfanyl-3-methylsulfonyloxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-azido-8-keto-3-methylsulfonyloxy-6-(methylthio)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C19H21N5O10S3 MolecularWeight: 575.59254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1(CSC2(C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N=[N+]=[N-])SC)OS(=O)(=O)C

Isomeric SMILES

CC(=O)OCC1(CSC2(C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])N=[N+]=[N-])SC)OS(=O)(=O)C

InChI

InChI=1S/C19H21N5O10S3/c1-11(25)33-9-18(34-37(3,30)31)10-36-19(35-2)14(21-22-20)16(26)23(19)15(18)17(27)32-8-12-4-6-13(7-5-12)24(28)29/h4-7,14-15H,8-10H2,1-3H3