(2S)-2-(1H-benzimidazol-2-ylmethylsulfanyl)propanoate

Systemtic Name: (2S)-2-(1H-benzimidazol-2-ylmethylsulfanyl)propanoate Openeye Name: (2S)-2-(1H-benzimidazol-2-ylmethylsulfanyl)propanoate CAS Name: (2S)-2-(1H-benzimidazol-2-ylmethylthio)propanoate IUPAC Name: (2S)-2-(1H-benzimidazol-2-ylmethylsulfanyl)propanoate Traditional Name: (2S)-2-(1H-benzimidazol-2-ylmethylthio)propionate Formula: C11H11N2O2S- MolecularWeight: 235.28224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC1=NC2=CC=CC=C2N1

Isomeric SMILES

C[C@@H](C(=O)[O-])SCC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C11H12N2O2S/c1-7(11(14)15)16-6-10-12-8-4-2-3-5-9(8)13-10/h2-5,7H,6H2,1H3,(H,12,13)(H,14,15)/p-1/t7-/m0/s1