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

Systemtic Name: (4-nitrophenyl)methyl 7-oxidanylidene-3-pyrimidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 7-oxo-3-pyrimidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-3-(4-pyrimidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 7-oxo-3-pyrimidin-4-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-(4-pyrimidylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)N2C(=C1SC3=NC=NC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC(=O)N2C(=C1SC3=NC=NC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O5S/c23-16-8-13-7-14(28-15-5-6-19-10-20-15)17(21(13)16)18(24)27-9-11-1-3-12(4-2-11)22(25)26/h1-6,10,13H,7-9H2