(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(2-propan-2-ylphenoxy)ethanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(2-propan-2-ylphenoxy)ethanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2-(2-isopropylphenoxy)acetate CAS Name: 2-(2-propan-2-ylphenoxy)acetic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-(2-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-isopropylphenoxy)acetic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C22H22ClNO3S MolecularWeight: 415.93298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C22H22ClNO3S/c1-14(2)18-6-4-5-7-20(18)26-13-21(25)27-12-16-10-15-8-9-17(28-3)11-19(15)24-22(16)23/h4-11,14H,12-13H2,1-3H3