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

Systemtic Name: (4-nitrophenyl)methyl 3-(2-acetyloxyethylsulfanyl)-7-oxidanylidene-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(2-acetoxyethylsulfanyl)-6-isopropyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(2-acetyloxyethylthio)-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(2-acetyloxyethylsulfanyl)-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(2-acetoxyethylthio)-6-isopropyl-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C21H24N2O7S MolecularWeight: 448.48946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SCCOC(=O)C

Isomeric SMILES

CC(C)C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SCCOC(=O)C

InChI

InChI=1S/C21H24N2O7S/c1-12(2)18-16-10-17(31-9-8-29-13(3)24)19(22(16)20(18)25)21(26)30-11-14-4-6-15(7-5-14)23(27)28/h4-7,12,16,18H,8-11H2,1-3H3