3-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropanoate

Systemtic Name: 3-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropanoate Openeye Name: 3-(1-isopropylbenzimidazol-2-yl)sulfanylpropanoate CAS Name: 3-[(1-propan-2-yl-2-benzimidazolyl)thio]propanoate IUPAC Name: 3-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropanoate Traditional Name: 3-[(1-isopropylbenzimidazol-2-yl)thio]propionate Formula: C13H15N2O2S- MolecularWeight: 263.3354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N=C1SCCC(=O)[O-]

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N=C1SCCC(=O)[O-]

InChI

InChI=1S/C13H16N2O2S/c1-9(2)15-11-6-4-3-5-10(11)14-13(15)18-8-7-12(16)17/h3-6,9H,7-8H2,1-2H3,(H,16,17)/p-1