2-[6-chloranyl-2-methyl-4-(4-methylsulfanylphenyl)quinolin-3-yl]pentanoic acid

Systemtic Name: 2-[6-chloranyl-2-methyl-4-(4-methylsulfanylphenyl)quinolin-3-yl]pentanoic acid Openeye Name: 2-[6-chloro-2-methyl-4-(4-methylsulfanylphenyl)-3-quinolyl]pentanoic acid CAS Name: 2-[6-chloro-2-methyl-4-[4-(methylthio)phenyl]-3-quinolinyl]pentanoic acid IUPAC Name: 2-[6-chloro-2-methyl-4-(4-methylsulfanylphenyl)quinolin-3-yl]pentanoic acid Traditional Name: 2-[6-chloro-2-methyl-4-[4-(methylthio)phenyl]-3-quinolyl]valeric acid Formula: C22H22ClNO2S MolecularWeight: 399.93358

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(N=C2C=CC(=CC2=C1C3=CC=C(C=C3)SC)Cl)C)C(=O)O

Isomeric SMILES

CCCC(C1=C(N=C2C=CC(=CC2=C1C3=CC=C(C=C3)SC)Cl)C)C(=O)O

InChI

InChI=1S/C22H22ClNO2S/c1-4-5-17(22(25)26)20-13(2)24-19-11-8-15(23)12-18(19)21(20)14-6-9-16(27-3)10-7-14/h6-12,17H,4-5H2,1-3H3,(H,25,26)