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

Systemtic Name: (2S)-2-azaniumyl-3-(6-ethoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-[(6-ethoxy-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(6-ethoxy-2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-(6-ethoxy-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-[(6-ethoxy-2-methyl-4-quinolyl)thio]propionate Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C=C2SCC(C(=O)[O-])[NH3+])C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C=C2SC[C@H](C(=O)[O-])[NH3+])C

InChI

InChI=1S/C15H18N2O3S/c1-3-20-10-4-5-13-11(7-10)14(6-9(2)17-13)21-8-12(16)15(18)19/h4-7,12H,3,8,16H2,1-2H3,(H,18,19)/t12-/m1/s1