2-(3-butyl-4,6-dimethyl-quinolin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-butyl-4,6-dimethyl-quinolin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(3-butyl-4,6-dimethyl-2-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(3-butyl-4,6-dimethyl-2-quinolinyl)thio]acetic acid IUPAC Name: 2-(3-butyl-4,6-dimethylquinolin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-butyl-4,6-dimethyl-2-quinolyl)thio]acetic acid Formula: C17H21NO2S MolecularWeight: 303.41914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C2C=CC(=CC2=C1C)C)SCC(=O)O

Isomeric SMILES

CCCCC1=C(N=C2C=CC(=CC2=C1C)C)SCC(=O)O

InChI

InChI=1S/C17H21NO2S/c1-4-5-6-13-12(3)14-9-11(2)7-8-15(14)18-17(13)21-10-16(19)20/h7-9H,4-6,10H2,1-3H3,(H,19,20)