(3-oxidanylidene-1H-2-benzofuran-1-yl) 7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid phthalidyl ester Formula: C21H15NO5S MolecularWeight: 393.4125

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)N2C(=C1SC3=CC=CC=C3)C(=O)OC4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1C2CC(=O)N2C(=C1SC3=CC=CC=C3)C(=O)OC4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C21H15NO5S/c23-17-11-12-10-16(28-13-6-2-1-3-7-13)18(22(12)17)20(25)27-21-15-9-5-4-8-14(15)19(24)26-21/h1-9,12,21H,10-11H2