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

Systemtic Name: (2S)-2-azaniumyl-3-(6-methoxy-4-methyl-quinolin-2-yl)sulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-[(6-methoxy-4-methyl-2-quinolyl)sulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(6-methoxy-4-methyl-2-quinolinyl)thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-(6-methoxy-4-methylquinolin-2-yl)sulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-[(6-methoxy-4-methyl-2-quinolyl)thio]propionate Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)OC)SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)OC)SC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C14H16N2O3S/c1-8-5-13(20-7-11(15)14(17)18)16-12-4-3-9(19-2)6-10(8)12/h3-6,11H,7,15H2,1-2H3,(H,17,18)/t11-/m1/s1