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

Systemtic Name: tert-butyl 3-(4-nitrophenyl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: tert-butyl 3-(4-nitrophenyl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[(4-nitrophenyl)thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-nitrophenyl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-[(4-nitrophenyl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid tert-butyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(CC2N1C(=O)C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(CC2N1C(=O)C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O5S/c1-17(2,3)24-16(21)15-13(8-11-9-14(20)18(11)15)25-12-6-4-10(5-7-12)19(22)23/h4-7,11H,8-9H2,1-3H3