[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 1-benzothiophene-2-carboxylate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=CC4=CC=CC=C4S3)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=CC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H17N3O3S/c1-24-16-8-4-5-9-17(16)25(2)21(24)15(12-23)18(26)13-28-22(27)20-11-14-7-3-6-10-19(14)29-20/h3-11H,13H2,1-2H3