6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-4-(trideuteriomethoxy)pyridine-3-carboxylic acid

Systemtic Name: 6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-4-(trideuteriomethoxy)pyridine-3-carboxylic acid Openeye Name: 6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-4-(trideuteriomethoxy)pyridine-3-carboxylic acid CAS Name: 6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-4-(trideuteriomethoxy)-3-pyridinecarboxylic acid IUPAC Name: 6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-4-(trideuteriomethoxy)pyridine-3-carboxylic acid Traditional Name: 6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-4-(trideuteriomethoxy)nicotinic acid Formula: C17H17N3O5S MolecularWeight: 378.417465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)C(=O)O)OC

Isomeric SMILES

[2H]C([2H])([2H])OC1=C(C(=NC=C1C(=O)O)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC)C

InChI

InChI=1S/C17H17N3O5S/c1-9-14(18-7-11(16(21)22)15(9)25-3)8-26(23)17-19-12-5-4-10(24-2)6-13(12)20-17/h4-7H,8H2,1-3H3,(H,19,20)(H,21,22)/i3D3