2-[1-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]benzimidazol-2-yl]thio]acetic acid Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCN2C3=CC=CC=C3N=C2SCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCN2C3=CC=CC=C3N=C2SCC(=O)O

InChI

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