(3-oxidanylidene-1H-2-benzofuran-1-yl) 8-oxidanylidene-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 8-oxidanylidene-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 8-oxo-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester IUPAC Name: (3-oxo-1H-2-benzofuran-1-yl) 8-oxo-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid phthalidyl ester Formula: C20H14N2O5S MolecularWeight: 394.40056

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=CN(S2)C3=CC=CC=C3)C(=O)OC4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1C2N(C1=O)C(=CN(S2)C3=CC=CC=C3)C(=O)OC4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C20H14N2O5S/c23-16-10-17-22(16)15(11-21(28-17)12-6-2-1-3-7-12)19(25)27-20-14-9-5-4-8-13(14)18(24)26-20/h1-9,11,17,20H,10H2