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

Systemtic Name: (phenylmethyl) 6-isocyano-3,3-dimethyl-7-oxidanylidene-6-(phenylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-benzyl-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-(phenylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-benzyl-6-isocyano-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-benzyl-6-isocyano-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O3S/c1-22(2)18(19(26)28-15-17-12-8-5-9-13-17)25-20(27)23(24-3,21(25)29-22)14-16-10-6-4-7-11-16/h4-13,18,21H,14-15H2,1-2H3