(4-nitrophenyl)methyl 3-bromanyl-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-bromanyl-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-bromo-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-bromo-3-methyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-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-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-bromo-8-keto-3-methyl-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C23H22BrN3O7S MolecularWeight: 564.40568

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)COC4=CC=CC=C4)Br

Isomeric SMILES

CC1(CSC2C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)COC4=CC=CC=C4)Br

InChI

InChI=1S/C23H22BrN3O7S/c1-23(24)13-35-21-18(25-17(28)12-33-16-5-3-2-4-6-16)20(29)26(21)19(23)22(30)34-11-14-7-9-15(10-8-14)27(31)32/h2-10,18-19,21H,11-13H2,1H3,(H,25,28)