2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfinyl]-1H-benzimidazole-4-carboxylic acid

Systemtic Name: 2-[[4-(3-methoxypropoxy)-3-methyl-pyridin-2-yl]methylsulfinyl]-1H-benzimidazole-4-carboxylic acid Openeye Name: 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]-1H-benzimidazole-4-carboxylic acid CAS Name: 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole-4-carboxylic acid IUPAC Name: 2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole-4-carboxylic acid Traditional Name: 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridyl]methylsulfinyl]-1H-benzimidazole-4-carboxylic acid Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CS(=O)C2=NC3=C(C=CC=C3N2)C(=O)O)OCCCOC

Isomeric SMILES

CC1=C(C=CN=C1CS(=O)C2=NC3=C(C=CC=C3N2)C(=O)O)OCCCOC

InChI

InChI=1S/C19H21N3O5S/c1-12-15(20-8-7-16(12)27-10-4-9-26-2)11-28(25)19-21-14-6-3-5-13(18(23)24)17(14)22-19/h3,5-8H,4,9-11H2,1-2H3,(H,21,22)(H,23,24)