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

Systemtic Name: (4-nitrophenyl)methyl 6-ethyl-7-oxidanylidene-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 6-ethyl-7-oxo-3-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-ethyl-7-oxo-3-(2-pyrimidinylthio)-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-pyrimidin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-ethyl-7-keto-3-(2-pyrimidylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C20H18N4O5S MolecularWeight: 426.44572

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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=NC=CC=N4

Isomeric SMILES

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC4=NC=CC=N4

InChI

InChI=1S/C20H18N4O5S/c1-2-14-15-10-16(30-20-21-8-3-9-22-20)17(23(15)18(14)25)19(26)29-11-12-4-6-13(7-5-12)24(27)28/h3-9,14-15H,2,10-11H2,1H3