(3-oxidanylidene-1H-2-benzofuran-1-yl) 4-(4-cyanophenyl)-3-methyl-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-(4-cyanophenyl)-3-methyl-8-oxidanylidene-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (3-oxo-1H-isobenzofuran-1-yl) 4-(4-cyanophenyl)-3-methyl-8-oxo-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 4-(4-cyanophenyl)-3-methyl-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-(4-cyanophenyl)-3-methyl-8-oxo-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 4-(4-cyanophenyl)-8-keto-3-methyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid phthalidyl ester Formula: C22H15N3O5S MolecularWeight: 433.4366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(CC2=O)SN1C3=CC=C(C=C3)C#N)C(=O)OC4C5=CC=CC=C5C(=O)O4

Isomeric SMILES

CC1=C(N2C(CC2=O)SN1C3=CC=C(C=C3)C#N)C(=O)OC4C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C22H15N3O5S/c1-12-19(21(28)30-22-16-5-3-2-4-15(16)20(27)29-22)24-17(26)10-18(24)31-25(12)14-8-6-13(11-23)7-9-14/h2-9,18,22H,10H2,1H3