(4-nitrophenyl)methyl 4-acetamido-3-chloranyl-8-oxidanylidene-4-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-acetamido-3-chloranyl-8-oxidanylidene-4-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetamido-3-chloro-8-oxo-4-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 4-acetamido-3-chloro-8-oxo-4-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetamido-3-chloro-8-oxo-4-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 4-acetamido-3-chloro-8-keto-4-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C22H18ClN3O6S MolecularWeight: 487.91282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C(=C(N2C(S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1(C(=C(N2C(S1)CC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H18ClN3O6S/c1-13(27)24-22(15-5-3-2-4-6-15)20(23)19(25-17(28)11-18(25)33-22)21(29)32-12-14-7-9-16(10-8-14)26(30)31/h2-10,18H,11-12H2,1H3,(H,24,27)