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

Systemtic Name: ethyl 2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfanyl]benzimidazole-1-carboxylate Openeye Name: ethyl 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfanyl]benzimidazole-1-carboxylate CAS Name: 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylthio]-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfanyl]benzimidazole-1-carboxylate Traditional Name: 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylthio]benzimidazole-1-carboxylic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=CC=CC=C2N=C1SCC3=NC=CC(=C3C)OCCCOC

Isomeric SMILES

CCOC(=O)N1C2=CC=CC=C2N=C1SCC3=NC=CC(=C3C)OCCCOC

InChI

InChI=1S/C21H25N3O4S/c1-4-27-21(25)24-18-9-6-5-8-16(18)23-20(24)29-14-17-15(2)19(10-11-22-17)28-13-7-12-26-3/h5-6,8-11H,4,7,12-14H2,1-3H3