2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: 2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: 2-(1-isopropylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propan-2-yl-2-benzimidazolyl)thio]acetate IUPAC Name: 2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-isopropylbenzimidazol-2-yl)thio]acetate Formula: C12H13N2O2S- MolecularWeight: 249.30882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N=C1SCC(=O)[O-]

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N=C1SCC(=O)[O-]

InChI

InChI=1S/C12H14N2O2S/c1-8(2)14-10-6-4-3-5-9(10)13-12(14)17-7-11(15)16/h3-6,8H,7H2,1-2H3,(H,15,16)/p-1