(4-nitrophenyl)methyl (2S,5S)-7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,5S)-7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,5S)-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylate CAS Name: (2S,5S)-7-oxo-3-(phenylthio)-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,5S)-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylate Traditional Name: (2S,5S)-7-keto-3-(phenylthio)-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=C(C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC4=CC=CC=C4

Isomeric SMILES

C1[C@H]2C=C([C@@H](N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC4=CC=CC=C4

InChI

InChI=1S/C20H16N2O5S/c23-18-11-15-10-17(28-16-4-2-1-3-5-16)19(21(15)18)20(24)27-12-13-6-8-14(9-7-13)22(25)26/h1-10,15,19H,11-12H2/t15-,19-/m1/s1