2-azanyl-3-[(2-chloranylquinolin-3-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(2-chloranylquinolin-3-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(2-chloro-3-quinolyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(2-chloro-3-quinolinyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(2-chloroquinolin-3-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(2-chloro-3-quinolyl)methylthio]propionic acid Formula: C13H13ClN2O2S MolecularWeight: 296.77252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CSCC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CSCC(C(=O)O)N

InChI

InChI=1S/C13H13ClN2O2S/c14-12-9(6-19-7-10(15)13(17)18)5-8-3-1-2-4-11(8)16-12/h1-5,10H,6-7,15H2,(H,17,18)