(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(4-cyanophenoxy)ethanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 2-(4-cyanophenoxy)ethanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 2-(4-cyanophenoxy)acetate CAS Name: 2-(4-cyanophenoxy)acetic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 2-(4-cyanophenoxy)acetate Traditional Name: 2-(4-cyanophenoxy)acetic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C20H15ClN2O3S MolecularWeight: 398.8627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)COC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)COC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H15ClN2O3S/c1-27-17-7-4-14-8-15(20(21)23-18(14)9-17)11-26-19(24)12-25-16-5-2-13(10-22)3-6-16/h2-9H,11-12H2,1H3