(4-nitrophenyl)methyl (6S,7R)-7-benzamido-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (6S,7R)-7-benzamido-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (6S,7R)-7-benzamido-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: (6S,7R)-7-benzamido-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (6S,7R)-7-benzamido-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: (6S,7R)-7-benzamido-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CSC2C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=CC=C4

Isomeric SMILES

C=C1CS[C@H]2[C@@H](C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O6S/c1-13-12-32-21-17(23-19(26)15-5-3-2-4-6-15)20(27)24(21)18(13)22(28)31-11-14-7-9-16(10-8-14)25(29)30/h2-10,17-18,21H,1,11-12H2,(H,23,26)/t17-,18?,21+/m1/s1