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

Systemtic Name: (2-nitrophenyl)methyl 7-oxidanylidene-6-propan-2-yl-3-pyridin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (2-nitrophenyl)methyl 6-isopropyl-7-oxo-3-(3-pyridylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-6-propan-2-yl-3-(3-pyridinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 7-oxo-6-propan-2-yl-3-pyridin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-isopropyl-7-keto-3-(3-pyridylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (2-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=CC=C3[N+](=O)[O-])SC4=CN=CC=C4

Isomeric SMILES

CC(C)C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=CC=C3[N+](=O)[O-])SC4=CN=CC=C4

InChI

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