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

Systemtic Name: (2-nitrophenyl)methyl 6-ethyl-3-(2-methylpropylsulfanyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (2-nitrophenyl)methyl 6-ethyl-3-isobutylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-ethyl-3-(2-methylpropylthio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 6-ethyl-3-(2-methylpropylsulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-ethyl-3-(isobutylthio)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (2-nitrobenzyl) ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-4-14-16-9-17(28-11-12(2)3)18(21(16)19(14)23)20(24)27-10-13-7-5-6-8-15(13)22(25)26/h5-8,12,14,16H,4,9-11H2,1-3H3