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

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 3,3-dimethyl-6-methylsulfonyloxy-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 3,3-dimethyl-6-methylsulfonyloxy-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-6-methylsulfonyloxy-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) 3,3-dimethyl-6-methylsulfonyloxy-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3,3-dimethyl-6-methylsulfonyloxy-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid phthalidyl ester Formula: C17H17NO8S2 MolecularWeight: 427.44878

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)OS(=O)(=O)C)C(=O)OC3C4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)OS(=O)(=O)C)C(=O)OC3C4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C17H17NO8S2/c1-17(2)11(18-12(19)10(13(18)27-17)26-28(3,22)23)15(21)25-16-9-7-5-4-6-8(9)14(20)24-16/h4-7,10-11,13,16H,1-3H3