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

Systemtic Name: (4-nitrophenyl)methyl 3-(acetyloxymethyl)-7-azido-6-methylsulfanyl-3-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(acetoxymethyl)-7-azido-3-hydroxy-6-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-azido-3-hydroxy-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-3-hydroxy-6-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-azido-3-hydroxy-8-keto-6-(methylthio)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C18H19N5O8S2 MolecularWeight: 497.50216

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O8S2/c1-10(24)31-8-17(27)9-33-18(32-2)13(20-21-19)15(25)22(18)14(17)16(26)30-7-11-3-5-12(6-4-11)23(28)29/h3-6,13-14,27H,7-9H2,1-2H3