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

Systemtic Name: (4-nitrophenyl)methyl 3-ethenyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 8-oxo-7-[(2-phenoxyacetyl)amino]-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-ethenyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-ethenyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(2-phenoxyacetyl)amino]-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C24H21N3O7S MolecularWeight: 495.50444

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C=CC1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O7S/c1-2-16-14-35-23-20(25-19(28)13-33-18-6-4-3-5-7-18)22(29)26(23)21(16)24(30)34-12-15-8-10-17(11-9-15)27(31)32/h2-11,20,23H,1,12-14H2,(H,25,28)