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

Systemtic Name: (4-nitrophenyl)methyl 3-(acetyloxymethyl)-7-azido-6-methylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(acetoxymethyl)-7-azido-6-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-azido-6-(methylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(acetyloxymethyl)-7-azido-6-methylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-azido-8-keto-6-(methylthio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C18H17N5O7S2 MolecularWeight: 479.48688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(=O)C(C2(SC1)SC)N=[N+]=[N-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC1=C(N2C(=O)C(C2(SC1)SC)N=[N+]=[N-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O7S2/c1-10(24)29-8-12-9-32-18(31-2)15(20-21-19)16(25)22(18)14(12)17(26)30-7-11-3-5-13(6-4-11)23(27)28/h3-6,15H,7-9H2,1-2H3