ethyl 2-(pyridin-2-ylmethylsulfinyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-(pyridin-2-ylmethylsulfinyl)-3H-benzimidazole-5-carboxylate Openeye Name: ethyl 2-(2-pyridylmethylsulfinyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(2-pyridinylmethylsulfinyl)-3H-benzimidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(pyridin-2-ylmethylsulfinyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(2-pyridylmethylsulfinyl)-3H-benzimidazole-5-carboxylic acid ethyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)S(=O)CC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)S(=O)CC3=CC=CC=N3

InChI

InChI=1S/C16H15N3O3S/c1-2-22-15(20)11-6-7-13-14(9-11)19-16(18-13)23(21)10-12-5-3-4-8-17-12/h3-9H,2,10H2,1H3,(H,18,19)