[(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 5-fluoranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl] 5-fluoro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-fluoro-3-methyl-2-benzofurancarboxylic acid [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] ester IUPAC Name: [(2R)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-fluoro-3-methyl-coumarilic acid [(1R)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl] ester Formula: C22H16FN3O4 MolecularWeight: 405.378543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)OC(C)C(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)O[C@H](C)C(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C22H16FN3O4/c1-11-14-9-13(23)7-8-18(14)30-20(11)22(28)29-12(2)19(27)15(10-24)21-25-16-5-3-4-6-17(16)26-21/h3-9,12,25-26H,1-2H3/t12-/m1/s1