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

Systemtic Name: (4-nitrophenyl)methyl 7-oxidanylidene-6-propan-2-yl-3-pyridin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 6-isopropyl-7-oxo-3-(2-pyridylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-6-propan-2-yl-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-6-propan-2-yl-3-pyridin-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-isopropyl-7-keto-3-(2-pyridylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC4=CC=CC=N4

Isomeric SMILES

CC(C)C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC4=CC=CC=N4

InChI

InChI=1S/C22H21N3O5S/c1-13(2)19-16-11-17(31-18-5-3-4-10-23-18)20(24(16)21(19)26)22(27)30-12-14-6-8-15(9-7-14)25(28)29/h3-10,13,16,19H,11-12H2,1-2H3