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

Systemtic Name: 3-(2,6-dimethyl-3-propyl-quinolin-4-yl)sulfanylpropanoate Openeye Name: 3-[(2,6-dimethyl-3-propyl-4-quinolyl)sulfanyl]propanoate CAS Name: 3-[(2,6-dimethyl-3-propyl-4-quinolinyl)thio]propanoate IUPAC Name: 3-(2,6-dimethyl-3-propylquinolin-4-yl)sulfanylpropanoate Traditional Name: 3-[(2,6-dimethyl-3-propyl-4-quinolyl)thio]propionate Formula: C17H20NO2S- MolecularWeight: 302.4112

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=CC(=C2)C)N=C1C)SCCC(=O)[O-]

Isomeric SMILES

CCCC1=C(C2=C(C=CC(=C2)C)N=C1C)SCCC(=O)[O-]

InChI

InChI=1S/C17H21NO2S/c1-4-5-13-12(3)18-15-7-6-11(2)10-14(15)17(13)21-9-8-16(19)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,19,20)/p-1