ethyl 5-cyano-6-[[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methylsulfanyl]-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methylsulfanyl]-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methylsulfanyl]-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]methylthio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methylsulfanyl]-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methylthio]-2-methyl-nicotinic acid ethyl ester Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NC(=C(C=C3C#N)C(=O)OCC)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NC(=C(C=C3C#N)C(=O)OCC)C

InChI

InChI=1S/C22H25N5O4S2/c1-6-27-19-9-8-16(33(29,30)26(4)5)11-18(19)25-20(27)13-32-21-15(12-23)10-17(14(3)24-21)22(28)31-7-2/h8-11H,6-7,13H2,1-5H3