[(2S)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-1-methyl-2-oxo-propyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [(2S)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] ester IUPAC Name: [(2S)-4-cyano-4-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutan-2-yl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [(1S)-3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-1-methyl-propyl] ester Formula: C21H14ClN3O4 MolecularWeight: 407.80656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C[C@@H](C(=O)C(=C1NC2=CC=CC=C2N1)C#N)OC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H14ClN3O4/c1-11(28-21(27)18-9-12-8-13(22)6-7-17(12)29-18)19(26)14(10-23)20-24-15-4-2-3-5-16(15)25-20/h2-9,11,24-25H,1H3/t11-/m0/s1