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

Systemtic Name: (4-nitrophenyl)methyl 3-butylsulfanyl-7-oxidanylidene-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-butylsulfanyl-6-isopropyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(butylthio)-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-butylsulfanyl-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(butylthio)-6-isopropyl-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(N2C(C1)C(C2=O)C(C)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=C(N2C(C1)C(C2=O)C(C)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O5S/c1-4-5-10-29-17-11-16-18(13(2)3)20(24)22(16)19(17)21(25)28-12-14-6-8-15(9-7-14)23(26)27/h6-9,13,16,18H,4-5,10-12H2,1-3H3