[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl ester Formula: C17H16ClN3O3S MolecularWeight: 377.84524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC2=NC3=C(N2CCO)C=C(C=C3)Cl

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC2=NC3=C(N2CCO)C=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3O3S/c1-25-16-12(3-2-6-19-16)17(23)24-10-15-20-13-5-4-11(18)9-14(13)21(15)7-8-22/h2-6,9,22H,7-8,10H2,1H3