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

Systemtic Name: 2-(2,8-dimethyl-3-propyl-quinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(2,8-dimethyl-3-propyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(2,8-dimethyl-3-propyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(2,8-dimethyl-3-propylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(2,8-dimethyl-3-propyl-4-quinolyl)thio]acetic acid Formula: C16H19NO2S MolecularWeight: 289.39256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C(=CC=C2)C)N=C1C)SCC(=O)O

Isomeric SMILES

CCCC1=C(C2=C(C(=CC=C2)C)N=C1C)SCC(=O)O

InChI

InChI=1S/C16H19NO2S/c1-4-6-12-11(3)17-15-10(2)7-5-8-13(15)16(12)20-9-14(18)19/h5,7-8H,4,6,9H2,1-3H3,(H,18,19)