ethyl 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoate

Systemtic Name: ethyl 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoate Openeye Name: ethyl 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetate CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)acetic acid ethyl ester IUPAC Name: ethyl 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetate Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)acetic acid ethyl ester Formula: C11H13N2O2S+ MolecularWeight: 237.29812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=[NH+]C2=CC=CC=C2N1

Isomeric SMILES

CCOC(=O)CSC1=[NH+]C2=CC=CC=C2N1

InChI

InChI=1S/C11H12N2O2S/c1-2-15-10(14)7-16-11-12-8-5-3-4-6-9(8)13-11/h3-6H,2,7H2,1H3,(H,12,13)/p+1