(2R)-2-azaniumyl-3-(6-ethylquinazolin-4-yl)sulfanyl-propanoate

Systemtic Name: (2R)-2-azaniumyl-3-(6-ethylquinazolin-4-yl)sulfanyl-propanoate Openeye Name: (2R)-2-azaniumyl-3-(6-ethylquinazolin-4-yl)sulfanyl-propanoate CAS Name: (2R)-2-ammonio-3-[(6-ethyl-4-quinazolinyl)thio]propanoate IUPAC Name: (2R)-2-azaniumyl-3-(6-ethylquinazolin-4-yl)sulfanylpropanoate Traditional Name: (2R)-2-ammonio-3-[(6-ethylquinazolin-4-yl)thio]propionate Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=CN=C2SCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=CN=C2SC[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H15N3O2S/c1-2-8-3-4-11-9(5-8)12(16-7-15-11)19-6-10(14)13(17)18/h3-5,7,10H,2,6,14H2,1H3,(H,17,18)/t10-/m0/s1