(2S)-2-acetamido-3-[6-(dimethylamino)-2-methyl-quinolin-4-yl]sulfanyl-propanoate

Systemtic Name: (2S)-2-acetamido-3-[6-(dimethylamino)-2-methyl-quinolin-4-yl]sulfanyl-propanoate Openeye Name: (2S)-2-acetamido-3-[[6-(dimethylamino)-2-methyl-4-quinolyl]sulfanyl]propanoate CAS Name: (2S)-2-acetamido-3-[[6-(dimethylamino)-2-methyl-4-quinolinyl]thio]propanoate IUPAC Name: (2S)-2-acetamido-3-[6-(dimethylamino)-2-methylquinolin-4-yl]sulfanylpropanoate Traditional Name: (2S)-2-acetamido-3-[[6-(dimethylamino)-2-methyl-4-quinolyl]thio]propionate Formula: C17H20N3O3S- MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)N(C)C)C(=C1)SCC(C(=O)[O-])NC(=O)C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)N(C)C)C(=C1)SC[C@H](C(=O)[O-])NC(=O)C

InChI

InChI=1S/C17H21N3O3S/c1-10-7-16(24-9-15(17(22)23)19-11(2)21)13-8-12(20(3)4)5-6-14(13)18-10/h5-8,15H,9H2,1-4H3,(H,19,21)(H,22,23)/p-1/t15-/m1/s1