tert-butyl 5-methyl-3-(4-nitrophenyl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: tert-butyl 5-methyl-3-(4-nitrophenyl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: tert-butyl 5-methyl-3-(4-nitrophenyl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 5-methyl-3-[(4-nitrophenyl)thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-methyl-3-(4-nitrophenyl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-5-methyl-3-[(4-nitrophenyl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid tert-butyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=C(N1C(=O)C2)C(=O)OC(C)(C)C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC12CC(=C(N1C(=O)C2)C(=O)OC(C)(C)C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5S/c1-17(2,3)25-16(22)15-13(9-18(4)10-14(21)19(15)18)26-12-7-5-11(6-8-12)20(23)24/h5-8H,9-10H2,1-4H3