ethyl 6-methyl-2-[(3-methylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole-5-carboxylate

Systemtic Name: ethyl 6-methyl-2-[(3-methylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole-5-carboxylate Openeye Name: ethyl 6-methyl-2-[(3-methyl-2-pyridyl)methylsulfanyl]-1H-benzimidazole-5-carboxylate CAS Name: 6-methyl-2-[(3-methyl-2-pyridinyl)methylthio]-1H-benzimidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[(3-methylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole-5-carboxylate Traditional Name: 6-methyl-2-[(3-methyl-2-pyridyl)methylthio]-1H-benzimidazole-5-carboxylic acid ethyl ester Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1C)NC(=N2)SCC3=C(C=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1C)NC(=N2)SCC3=C(C=CC=N3)C

InChI

InChI=1S/C18H19N3O2S/c1-4-23-17(22)13-9-15-14(8-12(13)3)20-18(21-15)24-10-16-11(2)6-5-7-19-16/h5-9H,4,10H2,1-3H3,(H,20,21)