(4-nitrophenyl)methyl 3,3-dimethyl-4,7-bis(oxidanylidene)-5-(2-phenoxyethanoylamino)-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3,3-dimethyl-4,7-bis(oxidanylidene)-5-(2-phenoxyethanoylamino)-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3,3-dimethyl-4,7-dioxo-5-[(2-phenoxyacetyl)amino]-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-4,7-dioxo-5-[(1-oxo-2-phenoxyethyl)amino]-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3,3-dimethyl-4,7-dioxo-5-[(2-phenoxyacetyl)amino]-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 4,7-diketo-3,3-dimethyl-5-[(2-phenoxyacetyl)amino]-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C23H23N3O8S MolecularWeight: 501.50902

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(=O)CC2(S1=O)NC(=O)COC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(N2C(=O)CC2(S1=O)NC(=O)COC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H23N3O8S/c1-22(2)20(21(29)34-13-15-8-10-16(11-9-15)26(30)31)25-19(28)12-23(25,35(22)32)24-18(27)14-33-17-6-4-3-5-7-17/h3-11,20H,12-14H2,1-2H3,(H,24,27)