2-(1-pentan-3-ylbenzimidazol-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(1-pentan-3-ylbenzimidazol-2-yl)sulfanylethanoic acid Openeye Name: 2-[1-(1-ethylpropyl)benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[(1-pentan-3-yl-2-benzimidazolyl)thio]acetic acid IUPAC Name: 2-(1-pentan-3-ylbenzimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-[[1-(1-ethylpropyl)benzimidazol-2-yl]thio]acetic acid Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

CCC(CC)N1C2=CC=CC=C2N=C1SCC(=O)O

InChI

InChI=1S/C14H18N2O2S/c1-3-10(4-2)16-12-8-6-5-7-11(12)15-14(16)19-9-13(17)18/h5-8,10H,3-4,9H2,1-2H3,(H,17,18)