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

Systemtic Name: 3-(3-ethyl-2,6-dimethyl-quinolin-4-yl)sulfanylpropanoate Openeye Name: 3-[(3-ethyl-2,6-dimethyl-4-quinolyl)sulfanyl]propanoate CAS Name: 3-[(3-ethyl-2,6-dimethyl-4-quinolinyl)thio]propanoate IUPAC Name: 3-(3-ethyl-2,6-dimethylquinolin-4-yl)sulfanylpropanoate Traditional Name: 3-[(3-ethyl-2,6-dimethyl-4-quinolyl)thio]propionate Formula: C16H18NO2S- MolecularWeight: 288.38462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=CC(=C2)C)N=C1C)SCCC(=O)[O-]

Isomeric SMILES

CCC1=C(C2=C(C=CC(=C2)C)N=C1C)SCCC(=O)[O-]

InChI

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