2-[1-(2-dimethylaminoethyl)benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(2-dimethylaminoethyl)benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(2-dimethylaminoethyl)benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(2-dimethylaminoethyl)-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-(2-dimethylaminoethyl)benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]thio]acetic acid Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2N=C1SCC(=O)O

InChI

InChI=1S/C13H17N3O2S/c1-15(2)7-8-16-11-6-4-3-5-10(11)14-13(16)19-9-12(17)18/h3-6H,7-9H2,1-2H3,(H,17,18)