2-azanyl-3-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(3-chloro-4-methyl-2-quinolyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(3-chloro-4-methyl-2-quinolinyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(3-chloro-4-methylquinolin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(3-chloro-4-methyl-2-quinolyl)methylthio]propionic acid Formula: C14H15ClN2O2S MolecularWeight: 310.7991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSCC(C(=O)O)N)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSCC(C(=O)O)N)Cl

InChI

InChI=1S/C14H15ClN2O2S/c1-8-9-4-2-3-5-11(9)17-12(13(8)15)7-20-6-10(16)14(18)19/h2-5,10H,6-7,16H2,1H3,(H,18,19)