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

Systemtic Name: (4-nitrophenyl)methyl 5-methyl-7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 5-methyl-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 5-methyl-7-oxo-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-methyl-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-5-methyl-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=C(N1C(=O)C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC4=CC=CC=C4

Isomeric SMILES

CC12CC(=C(N1C(=O)C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O5S/c1-21-11-17(29-16-5-3-2-4-6-16)19(22(21)18(24)12-21)20(25)28-13-14-7-9-15(10-8-14)23(26)27/h2-10H,11-13H2,1H3