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

Systemtic Name: (3-oxidanylidene-1H-2-benzofuran-1-yl) 4-(cyanomethyl)-8-oxidanylidene-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 4-(cyanomethyl)-8-oxo-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 4-(cyanomethyl)-8-oxo-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) 4-(cyanomethyl)-8-oxo-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 4-(cyanomethyl)-8-keto-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid phthalidyl ester Formula: C16H11N3O5S MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=CN(S2)CC#N)C(=O)OC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1C2N(C1=O)C(=CN(S2)CC#N)C(=O)OC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C16H11N3O5S/c17-5-6-18-8-11(19-12(20)7-13(19)25-18)15(22)24-16-10-4-2-1-3-9(10)14(21)23-16/h1-4,8,13,16H,6-7H2