(4-nitrophenyl)methyl 6-bromanyl-2-(chloromethyl)-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 6-bromanyl-2-(chloromethyl)-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 6-bromo-2-(chloromethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-bromo-2-(chloromethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 6-bromo-2-(chloromethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-bromo-2-(chloromethyl)-7-keto-3-methyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C15H14BrClN2O5S MolecularWeight: 449.70406

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N2C(S1)C(C2=O)Br)(CCl)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1C(N2C(S1)C(C2=O)Br)(CCl)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H14BrClN2O5S/c1-8-15(7-17,18-12(20)11(16)13(18)25-8)14(21)24-6-9-2-4-10(5-3-9)19(22)23/h2-5,8,11,13H,6-7H2,1H3