2-[2-[(2S)-butan-2-yl]sulfanylbenzimidazol-1-yl]ethanoate

Systemtic Name: 2-[2-[(2S)-butan-2-yl]sulfanylbenzimidazol-1-yl]ethanoate Openeye Name: 2-[2-[(1S)-1-methylpropyl]sulfanylbenzimidazol-1-yl]acetate CAS Name: 2-[2-[[(2S)-butan-2-yl]thio]-1-benzimidazolyl]acetate IUPAC Name: 2-[2-[(2S)-butan-2-yl]sulfanylbenzimidazol-1-yl]acetate Traditional Name: 2-[2-[[(1S)-1-methylpropyl]thio]benzimidazol-1-yl]acetate Formula: C13H15N2O2S- MolecularWeight: 263.3354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=CC=CC=C2N1CC(=O)[O-]

Isomeric SMILES

CC[C@H](C)SC1=NC2=CC=CC=C2N1CC(=O)[O-]

InChI

InChI=1S/C13H16N2O2S/c1-3-9(2)18-13-14-10-6-4-5-7-11(10)15(13)8-12(16)17/h4-7,9H,3,8H2,1-2H3,(H,16,17)/p-1/t9-/m0/s1