1-[2-(pyridin-2-ylmethylsulfinyl)benzimidazol-1-yl]ethyl 2,2-dimethylpropanoate

Systemtic Name: 1-[2-(pyridin-2-ylmethylsulfinyl)benzimidazol-1-yl]ethyl 2,2-dimethylpropanoate Openeye Name: 1-[2-(2-pyridylmethylsulfinyl)benzimidazol-1-yl]ethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 1-[2-(2-pyridinylmethylsulfinyl)-1-benzimidazolyl]ethyl ester IUPAC Name: 1-[2-(pyridin-2-ylmethylsulfinyl)benzimidazol-1-yl]ethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 1-[2-(2-pyridylmethylsulfinyl)benzimidazol-1-yl]ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=CC=CC=C2N=C1S(=O)CC3=CC=CC=N3)OC(=O)C(C)(C)C

Isomeric SMILES

CC(N1C2=CC=CC=C2N=C1S(=O)CC3=CC=CC=N3)OC(=O)C(C)(C)C

InChI

InChI=1S/C20H23N3O3S/c1-14(26-18(24)20(2,3)4)23-17-11-6-5-10-16(17)22-19(23)27(25)13-15-9-7-8-12-21-15/h5-12,14H,13H2,1-4H3