(phenylmethyl) 6-azido-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 6-azido-3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-azido-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-azido-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-azido-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-azido-7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C23H23N5O4S MolecularWeight: 465.52482

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(NC(=O)CC3=CC=CC=C3)N=[N+]=[N-])C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(NC(=O)CC3=CC=CC=C3)N=[N+]=[N-])C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C23H23N5O4S/c1-22(2)18(19(30)32-14-16-11-7-4-8-12-16)28-20(31)23(26-27-24,21(28)33-22)25-17(29)13-15-9-5-3-6-10-15/h3-12,18,21H,13-14H2,1-2H3,(H,25,29)