2-(2,6-dimethyl-3-propyl-quinolin-4-yl)sulfanylethanoate

Systemtic Name: 2-(2,6-dimethyl-3-propyl-quinolin-4-yl)sulfanylethanoate Openeye Name: 2-[(2,6-dimethyl-3-propyl-4-quinolyl)sulfanyl]acetate CAS Name: 2-[(2,6-dimethyl-3-propyl-4-quinolinyl)thio]acetate IUPAC Name: 2-(2,6-dimethyl-3-propylquinolin-4-yl)sulfanylacetate Traditional Name: 2-[(2,6-dimethyl-3-propyl-4-quinolyl)thio]acetate Formula: C16H18NO2S- MolecularWeight: 288.38462

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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/c1-4-5-12-11(3)17-14-7-6-10(2)8-13(14)16(12)20-9-15(18)19/h6-8H,4-5,9H2,1-3H3,(H,18,19)/p-1