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

Systemtic Name: 2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropanoic acid Openeye Name: 2-(1-isopropylbenzimidazol-2-yl)sulfanylpropanoic acid CAS Name: 2-[(1-propan-2-yl-2-benzimidazolyl)thio]propanoic acid IUPAC Name: 2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropanoic acid Traditional Name: 2-[(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=C1SC(C)C(=O)O

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N=C1SC(C)C(=O)O

InChI

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