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

Systemtic Name: (phenylmethyl) 5-methyl-3-(4-nitrophenyl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 5-methyl-3-(4-nitrophenyl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 5-methyl-3-[(4-nitrophenyl)thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-methyl-3-(4-nitrophenyl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-5-methyl-3-[(4-nitrophenyl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl 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=CC=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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