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

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 6-isocyano-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 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 (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 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 phthalidyl ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)[N+]#[C-])C(=O)OC3C4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)[N+]#[C-])C(=O)OC3C4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C17H14N2O5S/c1-17(2)11(19-12(20)10(18-3)13(19)25-17)15(22)24-16-9-7-5-4-6-8(9)14(21)23-16/h4-7,10-11,13,16H,1-2H3