(3-oxidanylidene-1H-2-benzofuran-1-yl) 6-(1-hydroxyethyl)-7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 6-(1-hydroxyethyl)-7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 6-(1-hydroxyethyl)-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-(phenylthio)-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-(1-hydroxyethyl)-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-(phenylthio)-1-azabicyclo[3.2.0]heptane-2-carboxylic acid phthalidyl ester Formula: C23H21NO6S MolecularWeight: 439.48094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(C(N2C1=O)C(=O)OC3C4=CC=CC=C4C(=O)O3)SC5=CC=CC=C5)O

Isomeric SMILES

CC(C1C2CC(C(N2C1=O)C(=O)OC3C4=CC=CC=C4C(=O)O3)SC5=CC=CC=C5)O

InChI

InChI=1S/C23H21NO6S/c1-12(25)18-16-11-17(31-13-7-3-2-4-8-13)19(24(16)20(18)26)22(28)30-23-15-10-6-5-9-14(15)21(27)29-23/h2-10,12,16-19,23,25H,11H2,1H3