(3-oxidanylidene-1H-2-benzofuran-1-yl) 6-(hydroxymethyl)-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-(hydroxymethyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 6-(hydroxymethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-(hydroxymethyl)-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-(hydroxymethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3,3-dimethyl-6-methylol-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid phthalidyl ester Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO6S/c1-17(2)11(18-12(20)10(7-19)13(18)25-17)15(22)24-16-9-6-4-3-5-8(9)14(21)23-16/h3-6,10-11,13,16,19H,7H2,1-2H3