(2-nitrophenyl)methyl 5-methyl-7-oxidanylidene-3-phenyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 5-methyl-7-oxidanylidene-3-phenyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (2-nitrophenyl)methyl 5-methyl-7-oxo-3-phenyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 5-methyl-7-oxo-3-phenyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 5-methyl-7-oxo-3-phenyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-5-methyl-3-phenyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (2-nitrobenzyl) ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=O)N1C(=C(S2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC12CC(=O)N1C(=C(S2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O5S/c1-20-11-16(23)21(20)17(18(28-20)13-7-3-2-4-8-13)19(24)27-12-14-9-5-6-10-15(14)22(25)26/h2-10H,11-12H2,1H3