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

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 3,3-dimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-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-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid phthalidyl ester Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC4C5=CC=CC=C5C(=O)O4)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC4C5=CC=CC=C5C(=O)O4)C

InChI

InChI=1S/C24H22N2O6S/c1-24(2)18(22(30)32-23-15-11-7-6-10-14(15)21(29)31-23)26-19(28)17(20(26)33-24)25-16(27)12-13-8-4-3-5-9-13/h3-11,17-18,20,23H,12H2,1-2H3,(H,25,27)