(phenylmethyl) N-[(2E,5R,6R,7R)-2-[(4-nitrophenyl)methoxy-oxidanyl-methylidene]-3,5,8-tris(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-7-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2E,5R,6R,7R)-2-[(4-nitrophenyl)methoxy-oxidanyl-methylidene]-3,5,8-tris(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-7-yl]carbamate Openeye Name: benzyl N-[(2E,5R,6R,7R)-2-[hydroxy-[(4-nitrophenyl)methoxy]methylene]-3,5,8-trioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-7-yl]carbamate CAS Name: N-[(2E,5R,6R,7R)-2-[hydroxy-[(4-nitrophenyl)methoxy]methylidene]-3,5,8-trioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2E,5R,6R,7R)-2-[hydroxy-[(4-nitrophenyl)methoxy]methylidene]-3,5,8-trioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-7-yl]carbamate Traditional Name: N-[(2E,5R,6R,7R)-2-[hydroxy-(4-nitrobenzyl)oxy-methylene]-3,5,8-triketo-5$l^{4}-thia-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid benzyl ester Formula: C22H19N3O9S MolecularWeight: 501.46596

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(O)OCC2=CC=C(C=C2)[N+](=O)[O-])N3C(S1=O)C(C3=O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C(=O)/C(=C(/O)\OCC2=CC=C(C=C2)[N+](=O)[O-])/N3[C@H]([S@@]1=O)[C@@H](C3=O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O9S/c26-16-12-35(32)20-17(23-22(29)34-11-13-4-2-1-3-5-13)19(27)24(20)18(16)21(28)33-10-14-6-8-15(9-7-14)25(30)31/h1-9,17,20,28H,10-12H2,(H,23,29)/b21-18+/t17-,20-,35-/m1/s1