3-(2-methyl-3-propyl-quinolin-4-yl)sulfanylpropanoic acid

Systemtic Name: 3-(2-methyl-3-propyl-quinolin-4-yl)sulfanylpropanoic acid Openeye Name: 3-[(2-methyl-3-propyl-4-quinolyl)sulfanyl]propanoic acid CAS Name: 3-[(2-methyl-3-propyl-4-quinolinyl)thio]propanoic acid IUPAC Name: 3-(2-methyl-3-propylquinolin-4-yl)sulfanylpropanoic acid Traditional Name: 3-[(2-methyl-3-propyl-4-quinolyl)thio]propionic acid Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=CC=CC=C2N=C1C)SCCC(=O)O

Isomeric SMILES

CCCC1=C(C2=CC=CC=C2N=C1C)SCCC(=O)O

InChI

InChI=1S/C16H19NO2S/c1-3-6-12-11(2)17-14-8-5-4-7-13(14)16(12)20-10-9-15(18)19/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,18,19)