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

Systemtic Name: 2-(3-butyl-2,6-dimethyl-quinolin-4-yl)sulfanylethanoate Openeye Name: 2-[(3-butyl-2,6-dimethyl-4-quinolyl)sulfanyl]acetate CAS Name: 2-[(3-butyl-2,6-dimethyl-4-quinolinyl)thio]acetate IUPAC Name: 2-(3-butyl-2,6-dimethylquinolin-4-yl)sulfanylacetate Traditional Name: 2-[(3-butyl-2,6-dimethyl-4-quinolyl)thio]acetate Formula: C17H20NO2S- MolecularWeight: 302.4112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(C=CC(=C2)C)N=C1C)SCC(=O)[O-]

Isomeric SMILES

CCCCC1=C(C2=C(C=CC(=C2)C)N=C1C)SCC(=O)[O-]

InChI

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