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

Systemtic Name: (4-nitrophenyl)methyl 6-ethyl-7-oxidanylidene-3-pyridin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 6-ethyl-7-oxo-3-(4-pyridylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-ethyl-7-oxo-3-(pyridin-4-ylthio)-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-pyridin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-ethyl-7-keto-3-(4-pyridylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5S/c1-2-16-17-11-18(30-15-7-9-22-10-8-15)19(23(17)20(16)25)21(26)29-12-13-3-5-14(6-4-13)24(27)28/h3-10,16-17H,2,11-12H2,1H3