(4-nitrophenyl)methyl 3-bromanyl-7-methoxy-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-bromanyl-7-methoxy-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-bromo-7-methoxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-bromo-7-methoxy-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-bromo-7-methoxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-bromo-8-keto-7-methoxy-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C23H20BrN3O7S MolecularWeight: 562.3898

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)Br)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1(C2N(C1=O)C(=C(CS2)Br)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H20BrN3O7S/c1-33-23(25-18(28)11-14-5-3-2-4-6-14)21(30)26-19(17(24)13-35-22(23)26)20(29)34-12-15-7-9-16(10-8-15)27(31)32/h2-10,22H,11-13H2,1H3,(H,25,28)