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

Systemtic Name: (4-nitrophenyl)methyl (2R,5S)-7-oxidanylidene-4-phenylsulfanyl-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (2R,5S)-7-oxo-4-phenylsulfanyl-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylate CAS Name: (2R,5S)-7-oxo-4-(phenylthio)-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2R,5S)-7-oxo-4-phenylsulfanyl-1-azabicyclo[3.2.0]hept-3-ene-2-carboxylate Traditional Name: (2R,5S)-7-keto-4-(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(=CC(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/c23-19-11-16-18(28-15-4-2-1-3-5-15)10-17(21(16)19)20(24)27-12-13-6-8-14(9-7-13)22(25)26/h1-10,16-17H,11-12H2/t16-,17+/m0/s1