3-(6-bromanyl-3-ethyl-2-methyl-quinolin-4-yl)sulfanylpropanoate

Systemtic Name: 3-(6-bromanyl-3-ethyl-2-methyl-quinolin-4-yl)sulfanylpropanoate Openeye Name: 3-[(6-bromo-3-ethyl-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: 3-[(6-bromo-3-ethyl-2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: 3-(6-bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: 3-[(6-bromo-3-ethyl-2-methyl-4-quinolyl)thio]propionate Formula: C15H15BrNO2S- MolecularWeight: 353.2541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=CC(=C2)Br)N=C1C)SCCC(=O)[O-]

Isomeric SMILES

CCC1=C(C2=C(C=CC(=C2)Br)N=C1C)SCCC(=O)[O-]

InChI

InChI=1S/C15H16BrNO2S/c1-3-11-9(2)17-13-5-4-10(16)8-12(13)15(11)20-7-6-14(18)19/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)/p-1