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

Systemtic Name: (4-nitrophenyl)methyl 3-cyclohexylsulfanyl-6-ethyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-cyclohexylsulfanyl-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(cyclohexylthio)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-cyclohexylsulfanyl-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(cyclohexylthio)-6-ethyl-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC4CCCCC4

Isomeric SMILES

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC4CCCCC4

InChI

InChI=1S/C22H26N2O5S/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/h8-11,16-18H,2-7,12-13H2,1H3