2-[4-(6-bromanylquinolin-2-yl)sulfanylphenoxy]propanoic acid

Systemtic Name: 2-[4-(6-bromanylquinolin-2-yl)sulfanylphenoxy]propanoic acid Openeye Name: 2-[4-[(6-bromo-2-quinolyl)sulfanyl]phenoxy]propanoic acid CAS Name: 2-[4-[(6-bromo-2-quinolinyl)thio]phenoxy]propanoic acid IUPAC Name: 2-[4-(6-bromoquinolin-2-yl)sulfanylphenoxy]propanoic acid Traditional Name: 2-[4-[(6-bromo-2-quinolyl)thio]phenoxy]propionic acid Formula: C18H14BrNO3S MolecularWeight: 404.27766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=C(C=C1)SC2=NC3=C(C=C2)C=C(C=C3)Br

Isomeric SMILES

CC(C(=O)O)OC1=CC=C(C=C1)SC2=NC3=C(C=C2)C=C(C=C3)Br

InChI

InChI=1S/C18H14BrNO3S/c1-11(18(21)22)23-14-4-6-15(7-5-14)24-17-9-2-12-10-13(19)3-8-16(12)20-17/h2-11H,1H3,(H,21,22)