2-[[3-methyl-4-(2-phenylmethoxyethoxy)pyridin-2-yl]methylsulfanyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[[3-methyl-4-(2-phenylmethoxyethoxy)pyridin-2-yl]methylsulfanyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[[4-(2-benzyloxyethoxy)-3-methyl-2-pyridyl]methylsulfanyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[3-methyl-4-(2-phenylmethoxyethoxy)-2-pyridinyl]methylthio]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[[3-methyl-4-(2-phenylmethoxyethoxy)pyridin-2-yl]methylsulfanyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[4-(2-benzoxyethoxy)-3-methyl-2-pyridyl]methylthio]-3H-benzimidazole-5-carboxylic acid Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C(C=C3)C(=O)O)OCCOCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=C(N2)C=C(C=C3)C(=O)O)OCCOCC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O4S/c1-16-21(15-32-24-26-19-8-7-18(23(28)29)13-20(19)27-24)25-10-9-22(16)31-12-11-30-14-17-5-3-2-4-6-17/h2-10,13H,11-12,14-15H2,1H3,(H,26,27)(H,28,29)