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

Systemtic Name: (4-nitrophenyl)methyl 7-oxidanylidene-3-phenylsulfanyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 6-isopropyl-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-3-(phenylthio)-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 7-oxo-3-phenylsulfanyl-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-isopropyl-7-keto-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5S/c1-14(2)20-18-12-19(31-17-6-4-3-5-7-17)21(24(18)22(20)26)23(27)30-13-15-8-10-16(11-9-15)25(28)29/h3-11,14,18,20H,12-13H2,1-2H3