3-(3-butyl-2-methyl-quinolin-4-yl)sulfanylpropanoate

Systemtic Name: 3-(3-butyl-2-methyl-quinolin-4-yl)sulfanylpropanoate Openeye Name: 3-[(3-butyl-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: 3-[(3-butyl-2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: 3-(3-butyl-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: 3-[(3-butyl-2-methyl-4-quinolyl)thio]propionate Formula: C17H20NO2S- MolecularWeight: 302.4112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2N=C1C)SCCC(=O)[O-]

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2N=C1C)SCCC(=O)[O-]

InChI

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