(4-nitrophenyl)methyl 3-ethylsulfinyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-ethylsulfinyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-ethylsulfinyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-ethylsulfinyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-ethylsulfinyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-ethylsulfinyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=C(N2CCC2C1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)C1=C(N2CCC2C1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5S/c1-2-24(22)14-9-13-7-8-17(13)15(14)16(19)23-10-11-3-5-12(6-4-11)18(20)21/h3-6,13H,2,7-10H2,1H3