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

Systemtic Name: (4-nitrophenyl)methyl 7-oxidanylidene-3-pyridin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 7-oxo-3-(2-pyridylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-3-(2-pyridinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 7-oxo-3-pyridin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-(2-pyridylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)N2C(=C1SC3=CC=CC=N3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC(=O)N2C(=C1SC3=CC=CC=N3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5S/c23-17-10-14-9-15(28-16-3-1-2-8-20-16)18(21(14)17)19(24)27-11-12-4-6-13(7-5-12)22(25)26/h1-8,14H,9-11H2