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

Systemtic Name: (phenylmethyl) 6-isocyano-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 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-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-isocyano-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-isocyano-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)[N+]#[C-])C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)[N+]#[C-])C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C16H16N2O3S/c1-16(2)12(18-13(19)11(17-3)14(18)22-16)15(20)21-9-10-7-5-4-6-8-10/h4-8,11-12,14H,9H2,1-2H3