[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-thiophen-2-ylbutanoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 4-thiophen-2-ylbutanoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)CCCC3=CC=CS3)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)CCCC3=CC=CS3)C

InChI

InChI=1S/C21H21N3O3S/c1-23-17-9-3-4-10-18(17)24(2)21(23)16(13-22)19(25)14-27-20(26)11-5-7-15-8-6-12-28-15/h3-4,6,8-10,12H,5,7,11,14H2,1-2H3