2-[2-methyl-4-[4-(pyridin-3-yloxymethyl)phenyl]sulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[4-(pyridin-3-yloxymethyl)phenyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[4-(3-pyridyloxymethyl)phenyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[[4-(3-pyridinyloxymethyl)phenyl]thio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[4-(pyridin-3-yloxymethyl)phenyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[[4-(3-pyridyloxymethyl)phenyl]thio]phenoxy]acetic acid Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC2=CC=C(C=C2)COC3=CN=CC=C3)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC2=CC=C(C=C2)COC3=CN=CC=C3)OCC(=O)O

InChI

InChI=1S/C21H19NO4S/c1-15-11-19(8-9-20(15)26-14-21(23)24)27-18-6-4-16(5-7-18)13-25-17-3-2-10-22-12-17/h2-12H,13-14H2,1H3,(H,23,24)