2-[2-methyl-4-[4-(quinolin-6-yloxymethyl)phenyl]sulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[2-methyl-4-[4-(quinolin-6-yloxymethyl)phenyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-methyl-4-[4-(6-quinolyloxymethyl)phenyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[2-methyl-4-[[4-(6-quinolinyloxymethyl)phenyl]thio]phenoxy]acetic acid IUPAC Name: 2-[2-methyl-4-[4-(quinolin-6-yloxymethyl)phenyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[2-methyl-4-[[4-(6-quinolyloxymethyl)phenyl]thio]phenoxy]acetic acid Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC2=CC=C(C=C2)COC3=CC4=C(C=C3)N=CC=C4)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC2=CC=C(C=C2)COC3=CC4=C(C=C3)N=CC=C4)OCC(=O)O

InChI

InChI=1S/C25H21NO4S/c1-17-13-22(9-11-24(17)30-16-25(27)28)31-21-7-4-18(5-8-21)15-29-20-6-10-23-19(14-20)3-2-12-26-23/h2-14H,15-16H2,1H3,(H,27,28)