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

Systemtic Name: (phenylmethyl) 6-isocyano-6-(2-methoxy-2-oxidanylidene-ethyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-isocyano-6-(2-methoxy-2-oxo-ethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-isocyano-6-(2-methoxy-2-oxoethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-isocyano-6-(2-methoxy-2-oxoethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-isocyano-7-keto-6-(2-keto-2-methoxy-ethyl)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-18(2)14(15(23)26-11-12-8-6-5-7-9-12)21-16(24)19(20-3,17(21)27-18)10-13(22)25-4/h5-9,14,17H,10-11H2,1-2,4H3