3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoate

Systemtic Name: 3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoate Openeye Name: 3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoate CAS Name: 3-[(4,8-dimethyl-2-quinolinyl)thio]propanoate IUPAC Name: 3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoate Traditional Name: 3-[(4,8-dimethyl-2-quinolyl)thio]propionate Formula: C14H14NO2S- MolecularWeight: 260.33146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)[O-]

InChI

InChI=1S/C14H15NO2S/c1-9-4-3-5-11-10(2)8-12(15-14(9)11)18-7-6-13(16)17/h3-5,8H,6-7H2,1-2H3,(H,16,17)/p-1