2-(1-pentylbenzimidazol-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(1-pentylbenzimidazol-2-yl)sulfanylethanoic acid Openeye Name: 2-(1-pentylbenzimidazol-2-yl)sulfanylacetic acid CAS Name: 2-[(1-pentyl-2-benzimidazolyl)thio]acetic acid IUPAC Name: 2-(1-pentylbenzimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-[(1-amylbenzimidazol-2-yl)thio]acetic acid Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

CCCCCN1C2=CC=CC=C2N=C1SCC(=O)O

InChI

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