(2S)-2-azaniumyl-3-(6-chloranyl-2-methyl-quinolin-4-yl)sulfanyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(6-chloranyl-2-methyl-quinolin-4-yl)sulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-[(6-chloro-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(6-chloro-2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-(6-chloro-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-[(6-chloro-2-methyl-4-quinolyl)thio]propionate Formula: C13H13ClN2O2S MolecularWeight: 296.77252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Cl)C(=C1)SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Cl)C(=C1)SC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H13ClN2O2S/c1-7-4-12(19-6-10(15)13(17)18)9-5-8(14)2-3-11(9)16-7/h2-5,10H,6,15H2,1H3,(H,17,18)/t10-/m1/s1