(phenylmethyl) 6-isocyano-3,3-dimethyl-7-oxidanylidene-6-(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 6-isocyano-3,3-dimethyl-7-oxidanylidene-6-(1-oxidanylidene-1-phenylmethoxy-propan-2-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-(2-benzyloxy-1-methyl-2-oxo-ethyl)-6-isocyano-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-isocyano-3,3-dimethyl-7-oxo-6-(1-oxo-1-phenylmethoxypropan-2-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-isocyano-3,3-dimethyl-7-oxo-6-(1-oxo-1-phenylmethoxypropan-2-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(2-benzoxy-2-keto-1-methyl-ethyl)-6-isocyano-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)C2(C3N(C2=O)C(C(S3)(C)C)C(=O)OCC4=CC=CC=C4)[N+]#[C-]

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)C2(C3N(C2=O)C(C(S3)(C)C)C(=O)OCC4=CC=CC=C4)[N+]#[C-]

InChI

InChI=1S/C26H26N2O5S/c1-17(21(29)32-15-18-11-7-5-8-12-18)26(27-4)23(31)28-20(25(2,3)34-24(26)28)22(30)33-16-19-13-9-6-10-14-19/h5-14,17,20,24H,15-16H2,1-3H3