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

Systemtic Name: (phenylmethyl) 6-isocyano-3,3-dimethyl-7-oxidanylidene-6-(3-oxidanylidene-4-phenyl-butan-2-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-isocyano-3,3-dimethyl-6-(1-methyl-2-oxo-3-phenyl-propyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-isocyano-3,3-dimethyl-7-oxo-6-(3-oxo-4-phenylbutan-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-(3-oxo-4-phenylbutan-2-yl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-isocyano-7-keto-6-(2-keto-1-methyl-3-phenyl-propyl)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CC1=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)CC1=CC=CC=C1)C2(C3N(C2=O)C(C(S3)(C)C)C(=O)OCC4=CC=CC=C4)[N+]#[C-]

InChI

InChI=1S/C26H26N2O4S/c1-17(20(29)15-18-11-7-5-8-12-18)26(27-4)23(31)28-21(25(2,3)33-24(26)28)22(30)32-16-19-13-9-6-10-14-19/h5-14,17,21,24H,15-16H2,1-3H3