6-[2-[(4-nitrophenyl)methoxycarbonyloxy]propan-2-yl]-7-oxidanylidene-3-pyridin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-[2-[(4-nitrophenyl)methoxycarbonyloxy]propan-2-yl]-7-oxidanylidene-3-pyridin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 6-[1-methyl-1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-7-oxo-3-(3-pyridylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-[2-[(4-nitrophenyl)methoxy-oxomethoxy]propan-2-yl]-7-oxo-3-(3-pyridinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-[2-[(4-nitrophenyl)methoxycarbonyloxy]propan-2-yl]-7-oxo-3-pyridin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-6-[1-methyl-1-(4-nitrobenzyl)oxycarbonyloxy-ethyl]-3-(3-pyridylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C23H20N3O8S- MolecularWeight: 498.4852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1C2CC(=C(N2C1=O)C(=O)[O-])SC3=CN=CC=C3)OC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1C2CC(=C(N2C1=O)C(=O)[O-])SC3=CN=CC=C3)OC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O8S/c1-23(2,34-22(30)33-12-13-5-7-14(8-6-13)26(31)32)18-16-10-17(35-15-4-3-9-24-11-15)19(21(28)29)25(16)20(18)27/h3-9,11,16,18H,10,12H2,1-2H3,(H,28,29)/p-1