3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-chloro-7,8-dimethyl-3-quinolinyl)methylthio]propanoic acid IUPAC Name: 3-[(2-chloro-7,8-dimethylquinolin-3-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2-chloro-7,8-dimethyl-3-quinolyl)methylthio]propionic acid Formula: C15H16ClNO2S MolecularWeight: 309.81104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSCCC(=O)O)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSCCC(=O)O)Cl)C

InChI

InChI=1S/C15H16ClNO2S/c1-9-3-4-11-7-12(8-20-6-5-13(18)19)15(16)17-14(11)10(9)2/h3-4,7H,5-6,8H2,1-2H3,(H,18,19)