3-[(2-chloranyl-7-methyl-quinolin-3-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-chloranyl-7-methyl-quinolin-3-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-chloro-7-methyl-3-quinolyl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-chloro-7-methyl-3-quinolinyl)methylthio]propanoic acid IUPAC Name: 3-[(2-chloro-7-methylquinolin-3-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2-chloro-7-methyl-3-quinolyl)methylthio]propionic acid Formula: C14H14ClNO2S MolecularWeight: 295.78446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CSCCC(=O)O)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CSCCC(=O)O)Cl

InChI

InChI=1S/C14H14ClNO2S/c1-9-2-3-10-7-11(8-19-5-4-13(17)18)14(15)16-12(10)6-9/h2-3,6-7H,4-5,8H2,1H3,(H,17,18)