ethyl 2-[(4-butoxy-3-methyl-pyridin-2-yl)methylsulfanyl]benzimidazole-1-carboxylate

Systemtic Name: ethyl 2-[(4-butoxy-3-methyl-pyridin-2-yl)methylsulfanyl]benzimidazole-1-carboxylate Openeye Name: ethyl 2-[(4-butoxy-3-methyl-2-pyridyl)methylsulfanyl]benzimidazole-1-carboxylate CAS Name: 2-[(4-butoxy-3-methyl-2-pyridinyl)methylthio]-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-butoxy-3-methylpyridin-2-yl)methylsulfanyl]benzimidazole-1-carboxylate Traditional Name: 2-[(4-butoxy-3-methyl-2-pyridyl)methylthio]benzimidazole-1-carboxylic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2C(=O)OCC)C

Isomeric SMILES

CCCCOC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2C(=O)OCC)C

InChI

InChI=1S/C21H25N3O3S/c1-4-6-13-27-19-11-12-22-17(15(19)3)14-28-20-23-16-9-7-8-10-18(16)24(20)21(25)26-5-2/h7-12H,4-6,13-14H2,1-3H3