(4-nitrophenyl)methyl 3-bromanyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-bromanyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-bromo-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-bromo-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-bromo-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-bromo-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C15H15BrN2O5S MolecularWeight: 415.259

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2CC(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1(CSC2CC(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C15H15BrN2O5S/c1-15(16)8-24-12-6-11(19)17(12)13(15)14(20)23-7-9-2-4-10(5-3-9)18(21)22/h2-5,12-13H,6-8H2,1H3