disodium 6-[(5-methoxybenzimidazol-1-id-2-yl)sulfinylmethyl]-5-methyl-4-(trideuteriomethoxy)pyridine-3-carboxylate

Systemtic Name: disodium 6-[(5-methoxybenzimidazol-1-id-2-yl)sulfinylmethyl]-5-methyl-4-(trideuteriomethoxy)pyridine-3-carboxylate Openeye Name: disodium 6-[(5-methoxybenzimidazol-1-id-2-yl)sulfinylmethyl]-5-methyl-4-(trideuteriomethoxy)pyridine-3-carboxylate CAS Name: disodium 6-[(5-methoxy-2-benzimidazol-1-idyl)sulfinylmethyl]-5-methyl-4-(trideuteriomethoxy)-3-pyridinecarboxylate IUPAC Name: disodium 6-[(5-methoxybenzimidazol-1-id-2-yl)sulfinylmethyl]-5-methyl-4-(trideuteriomethoxy)pyridine-3-carboxylate Traditional Name: disodium 6-[(5-methoxybenzimidazol-1-id-2-yl)sulfinylmethyl]-5-methyl-4-(trideuteriomethoxy)nicotinate Formula: C17H15N3Na2O5S MolecularWeight: 422.381125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN=C1CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC)C(=O)[O-])OC.[Na+].[Na+]

Isomeric SMILES

[2H]C([2H])([2H])OC1=C(C(=NC=C1C(=O)[O-])CS(=O)C2=NC3=C([N-]2)C=CC(=C3)OC)C.[Na+].[Na+]

InChI

InChI=1S/C17H17N3O5S.2Na/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,(H2,19,20,21,22);;/q;2*+1/p-2/i3D3;;