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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

CCCC(C)N1C2=CC=CC=C2N=C1SCC(=O)O

InChI

InChI=1S/C14H18N2O2S/c1-3-6-10(2)16-12-8-5-4-7-11(12)15-14(16)19-9-13(17)18/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,17,18)