2-[2-[2-(4-methyl-2-propan-2-yl-phenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanoate

Systemtic Name: 2-[2-[2-(4-methyl-2-propan-2-yl-phenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanoate Openeye Name: 2-[2-[2-(2-isopropyl-4-methyl-phenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[2-(4-methyl-2-propan-2-ylphenoxy)ethylthio]-1-benzimidazolyl]acetate IUPAC Name: 2-[2-[2-(4-methyl-2-propan-2-ylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[2-(2-isopropyl-4-methyl-phenoxy)ethylthio]benzimidazol-1-yl]acetate Formula: C21H23N2O3S- MolecularWeight: 383.48392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-14(2)16-12-15(3)8-9-19(16)26-10-11-27-21-22-17-6-4-5-7-18(17)23(21)13-20(24)25/h4-9,12,14H,10-11,13H2,1-3H3,(H,24,25)/p-1