3-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropanoic acid Openeye Name: 3-(1-isopropylbenzimidazol-2-yl)sulfanylpropanoic acid CAS Name: 3-[(1-propan-2-yl-2-benzimidazolyl)thio]propanoic acid IUPAC Name: 3-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(1-isopropylbenzimidazol-2-yl)thio]propionic acid Formula: C13H16N2O2S MolecularWeight: 264.34334

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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)