2-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanoate

Systemtic Name: 2-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[2-(3,5-dimethylphenoxy)ethylthio]-1-benzimidazolyl]acetate IUPAC Name: 2-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[2-(3,5-dimethylphenoxy)ethylthio]benzimidazol-1-yl]acetate Formula: C19H19N2O3S- MolecularWeight: 355.43076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)[O-])C

InChI

InChI=1S/C19H20N2O3S/c1-13-9-14(2)11-15(10-13)24-7-8-25-19-20-16-5-3-4-6-17(16)21(19)12-18(22)23/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,23)/p-1