2-[4-[(3R)-3-(4-ethyl-2-pyridin-2-yl-phenoxy)butoxy]-2-methyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(3R)-3-(4-ethyl-2-pyridin-2-yl-phenoxy)butoxy]-2-methyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(3R)-3-[4-ethyl-2-(2-pyridyl)phenoxy]butoxy]-2-methyl-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[(3R)-3-[4-ethyl-2-(2-pyridinyl)phenoxy]butoxy]-2-methylphenyl]thio]acetic acid IUPAC Name: 2-[4-[(3R)-3-(4-ethyl-2-pyridin-2-ylphenoxy)butoxy]-2-methylphenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(3R)-3-[4-ethyl-2-(2-pyridyl)phenoxy]butoxy]-2-methyl-phenyl]thio]acetic acid Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC(C)CCOC2=CC(=C(C=C2)SCC(=O)O)C)C3=CC=CC=N3

Isomeric SMILES

CCC1=CC(=C(C=C1)O[C@H](C)CCOC2=CC(=C(C=C2)SCC(=O)O)C)C3=CC=CC=N3

InChI

InChI=1S/C26H29NO4S/c1-4-20-8-10-24(22(16-20)23-7-5-6-13-27-23)31-19(3)12-14-30-21-9-11-25(18(2)15-21)32-17-26(28)29/h5-11,13,15-16,19H,4,12,14,17H2,1-3H3,(H,28,29)/t19-/m1/s1