ethyl 2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[(6-chloranylpyridin-3-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(6-chloro-3-pyridyl)methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[(6-chloro-3-pyridinyl)methylthio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-chloropyridin-3-yl)methylsulfanyl]-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[(6-chloro-3-pyridyl)methylthio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C18H18ClN3O2S MolecularWeight: 375.87242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=CN=C(C=C3)Cl

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=CN=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O2S/c1-3-22-15-7-6-13(17(23)24-4-2)9-14(15)21-18(22)25-11-12-5-8-16(19)20-10-12/h5-10H,3-4,11H2,1-2H3