3-(2,8-dimethyl-3-propyl-quinolin-4-yl)sulfanylpropanoate

Systemtic Name: 3-(2,8-dimethyl-3-propyl-quinolin-4-yl)sulfanylpropanoate Openeye Name: 3-[(2,8-dimethyl-3-propyl-4-quinolyl)sulfanyl]propanoate CAS Name: 3-[(2,8-dimethyl-3-propyl-4-quinolinyl)thio]propanoate IUPAC Name: 3-(2,8-dimethyl-3-propylquinolin-4-yl)sulfanylpropanoate Traditional Name: 3-[(2,8-dimethyl-3-propyl-4-quinolyl)thio]propionate Formula: C17H20NO2S- MolecularWeight: 302.4112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C(=CC=C2)C)N=C1C)SCCC(=O)[O-]

Isomeric SMILES

CCCC1=C(C2=C(C(=CC=C2)C)N=C1C)SCCC(=O)[O-]

InChI

InChI=1S/C17H21NO2S/c1-4-6-13-12(3)18-16-11(2)7-5-8-14(16)17(13)21-10-9-15(19)20/h5,7-8H,4,6,9-10H2,1-3H3,(H,19,20)/p-1