bis[(4-nitrophenyl)methyl] (6S)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylate

Systemtic Name: bis[(4-nitrophenyl)methyl] (6S)-7-azanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylate Openeye Name: bis[(4-nitrophenyl)methyl] (6S)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylate CAS Name: (6S)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid bis[(4-nitrophenyl)methyl] ester IUPAC Name: bis[(4-nitrophenyl)methyl] (6S)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylate Traditional Name: (6S)-7-amino-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2,3-dicarboxylic acid bis(4-nitrobenzyl) ester Formula: C22H18N4O9S MolecularWeight: 514.46472

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(=C(N2[C@@H](S1)C(C2=O)N)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O9S/c23-17-19(27)24-18(22(29)35-10-13-3-7-15(8-4-13)26(32)33)16(11-36-20(17)24)21(28)34-9-12-1-5-14(6-2-12)25(30)31/h1-8,17,20H,9-11,23H2/t17?,20-/m0/s1