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

Systemtic Name: (4-nitrophenyl)methyl 3-acetyloxy-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-acetoxy-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-acetyloxy-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-acetyloxy-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-acetoxy-8-keto-3-methyl-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C25H25N3O9S MolecularWeight: 543.5457

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CSC2C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)COC4=CC=CC=C4)C

Isomeric SMILES

CC(=O)OC1(CSC2C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)COC4=CC=CC=C4)C

InChI

InChI=1S/C25H25N3O9S/c1-15(29)37-25(2)14-38-23-20(26-19(30)13-35-18-6-4-3-5-7-18)22(31)27(23)21(25)24(32)36-12-16-8-10-17(11-9-16)28(33)34/h3-11,20-21,23H,12-14H2,1-2H3,(H,26,30)