[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C21H18ClN3O5S MolecularWeight: 459.90272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C21H18ClN3O5S/c1-24-17-6-4-5-7-18(17)25(2)20(24)15(11-23)19(26)12-30-21(27)14-10-13(31(3,28)29)8-9-16(14)22/h4-10H,12H2,1-3H3