[(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxidanylidene-propyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxo-propyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1H-benzimidazol-2-ylidene)propyl] ester Formula: C21H14FN3O3S MolecularWeight: 407.417563

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)COC(=O)C3=CC4=C(S3)C=CC(=C4)F

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)COC(=O)C3=CC4=C(S3)C=CC(=C4)F

InChI

InChI=1S/C21H14FN3O3S/c1-25-16-5-3-2-4-15(16)24-20(25)14(10-23)17(26)11-28-21(27)19-9-12-8-13(22)6-7-18(12)29-19/h2-9,24H,11H2,1H3/b20-14+