(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-[bis(fluoranyl)methoxy]benzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-[bis(fluoranyl)methoxy]benzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-(difluoromethoxy)benzoate CAS Name: 4-(difluoromethoxy)benzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-(difluoromethoxy)benzoate Traditional Name: 4-(difluoromethoxy)benzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C19H14ClF2NO3S MolecularWeight: 409.834166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)OC(F)F)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC=C(C=C3)OC(F)F)Cl

InChI

InChI=1S/C19H14ClF2NO3S/c1-27-15-7-4-12-8-13(17(20)23-16(12)9-15)10-25-18(24)11-2-5-14(6-3-11)26-19(21)22/h2-9,19H,10H2,1H3