[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(2-chlorophenyl)sulfonylpropanoate

Systemtic Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 3-(2-chlorophenyl)sulfonylpropanoate Openeye Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxo-propyl] 3-(2-chlorophenyl)sulfonylpropanoate CAS Name: 3-(2-chlorophenyl)sulfonylpropanoic acid [3-cyano-3-(1,3-dimethyl-2-benzimidazolylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 3-(2-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(2-chlorophenyl)sulfonylpropionic acid [3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C22H20ClN3O5S MolecularWeight: 473.9293

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)CCS(=O)(=O)C3=CC=CC=C3Cl)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)CCS(=O)(=O)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C22H20ClN3O5S/c1-25-17-8-4-5-9-18(17)26(2)22(25)15(13-24)19(27)14-31-21(28)11-12-32(29,30)20-10-6-3-7-16(20)23/h3-10H,11-12,14H2,1-2H3