2-[[3-cyano-6-(diethylamino)-2-methylsulfanyl-quinolin-4-yl]amino]ethanoate

Systemtic Name: 2-[[3-cyano-6-(diethylamino)-2-methylsulfanyl-quinolin-4-yl]amino]ethanoate Openeye Name: 2-[[3-cyano-6-(diethylamino)-2-methylsulfanyl-4-quinolyl]amino]acetate CAS Name: 2-[[3-cyano-6-(diethylamino)-2-(methylthio)-4-quinolinyl]amino]acetate IUPAC Name: 2-[[3-cyano-6-(diethylamino)-2-methylsulfanylquinolin-4-yl]amino]acetate Traditional Name: 2-[[3-cyano-6-(diethylamino)-2-(methylthio)-4-quinolyl]amino]acetate Formula: C17H19N4O2S- MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N=C(C(=C2NCC(=O)[O-])C#N)SC

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N=C(C(=C2NCC(=O)[O-])C#N)SC

InChI

InChI=1S/C17H20N4O2S/c1-4-21(5-2)11-6-7-14-12(8-11)16(19-10-15(22)23)13(9-18)17(20-14)24-3/h6-8H,4-5,10H2,1-3H3,(H,19,20)(H,22,23)/p-1