methyl 2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-3H-benzimidazole-5-carboxylate Openeye Name: methyl 2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C17H17N3O5S/c1-23-14-6-7-18-13(15(14)24-2)9-26(22)17-19-11-5-4-10(16(21)25-3)8-12(11)20-17/h4-8H,9H2,1-3H3,(H,19,20)