(4-nitrophenyl)methyl 6-ethyl-3-(4-nitrophenyl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 6-ethyl-3-(4-nitrophenyl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 6-ethyl-3-(4-nitrophenyl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-ethyl-3-[(4-nitrophenyl)thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 6-ethyl-3-(4-nitrophenyl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-ethyl-7-keto-3-[(4-nitrophenyl)thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C22H19N3O7S MolecularWeight: 469.46716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1C2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O7S/c1-2-17-18-11-19(33-16-9-7-15(8-10-16)25(30)31)20(23(18)21(17)26)22(27)32-12-13-3-5-14(6-4-13)24(28)29/h3-10,17-18H,2,11-12H2,1H3