(4-nitrophenyl)methyl 6-ethyl-7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 6-ethyl-7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 6-ethyl-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-ethyl-7-oxo-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 6-ethyl-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-ethyl-7-keto-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C22H20N2O5S MolecularWeight: 424.4696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC4=CC=CC=C4

Isomeric SMILES

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O5S/c1-2-17-18-12-19(30-16-6-4-3-5-7-16)20(23(18)21(17)25)22(26)29-13-14-8-10-15(11-9-14)24(27)28/h3-11,17-18H,2,12-13H2,1H3