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

Systemtic Name: 2-(1-butylbenzimidazol-2-yl)sulfanylethanoic acid Openeye Name: 2-(1-butylbenzimidazol-2-yl)sulfanylacetic acid CAS Name: 2-[(1-butyl-2-benzimidazolyl)thio]acetic acid IUPAC Name: 2-(1-butylbenzimidazol-2-yl)sulfanylacetic acid Traditional Name: 2-[(1-butylbenzimidazol-2-yl)thio]acetic acid Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C1SCC(=O)O

InChI

InChI=1S/C13H16N2O2S/c1-2-3-8-15-11-7-5-4-6-10(11)14-13(15)18-9-12(16)17/h4-7H,2-3,8-9H2,1H3,(H,16,17)