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

Systemtic Name: (4-nitrophenyl)methyl 8-oxidanylidene-7-(2-phenylethanoylamino)-3-piperidin-1-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 8-oxo-7-[(2-phenylacetyl)amino]-3-(1-piperidyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-(1-piperidinyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 8-oxo-7-[(2-phenylacetyl)amino]-3-piperidin-1-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-3-piperidino-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C27H28N4O6S MolecularWeight: 536.59942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O6S/c32-22(15-18-7-3-1-4-8-18)28-23-25(33)30-24(21(17-38-26(23)30)29-13-5-2-6-14-29)27(34)37-16-19-9-11-20(12-10-19)31(35)36/h1,3-4,7-12,23,26H,2,5-6,13-17H2,(H,28,32)