Molecule ID: 57805591

IUPAC Name: 5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-ide

Description: The molecule is an organic anion resulting from the deprotonation of the hydrogen-bearing nitrogen of the imidazole group of esomeprazole. It is a conjugate base of an esomeprazole.

SMILES: COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[n-]c2c1

SELFIES: [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][=Branch1][S@@][=Branch1][C][=O][C][C][=N][C][=C][Branch1][C][C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][N-1][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C17H18N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3/q-1/t24-/m0/s1

Molecular Properties:
- Polar Surface Area: 81.5 Ų
- LogP: 2.1