2-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)sulfanylethanoic acid

Systemtic Name: 2-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)sulfanylethanoic acid Openeye Name: 2-[(6-bromo-2-methyl-4-phenyl-3-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(6-bromo-2-methyl-4-phenyl-3-quinolinyl)thio]acetic acid IUPAC Name: 2-(6-bromo-2-methyl-4-phenylquinolin-3-yl)sulfanylacetic acid Traditional Name: 2-[(6-bromo-2-methyl-4-phenyl-3-quinolyl)thio]acetic acid Formula: C18H14BrNO2S MolecularWeight: 388.27826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)SCC(=O)O

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)SCC(=O)O

InChI

InChI=1S/C18H14BrNO2S/c1-11-18(23-10-16(21)22)17(12-5-3-2-4-6-12)14-9-13(19)7-8-15(14)20-11/h2-9H,10H2,1H3,(H,21,22)