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

Systemtic Name: (4-nitrophenyl)methyl (6S,7R)-7-acetamido-3-methylidene-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (6S,7R)-7-acetamido-3-methylene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: (6S,7R)-7-acetamido-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-acetamido-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: (6S,7R)-7-acetamido-8-keto-3-methylene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C2N(C1=O)C(C(=C)CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N[C@H]1[C@H]2N(C1=O)C(C(=C)CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6S/c1-9-8-27-16-13(18-10(2)21)15(22)19(16)14(9)17(23)26-7-11-3-5-12(6-4-11)20(24)25/h3-6,13-14,16H,1,7-8H2,2H3,(H,18,21)/t13-,14?,16+/m1/s1