methyl 2-[[2-[(2-chlorophenyl)methoxy]-7-fluoranyl-quinolin-3-yl]methylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-[(2-chlorophenyl)methoxy]-7-fluoranyl-quinolin-3-yl]methylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-[(2-chlorophenyl)methoxy]-7-fluoro-3-quinolyl]methylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[(2-chlorophenyl)methoxy]-7-fluoro-3-quinolinyl]methylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-chlorophenyl)methoxy]-7-fluoroquinolin-3-yl]methylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(2-chlorobenzyl)oxy-7-fluoro-3-quinolyl]methylamino]-4-(methylthio)butyric acid methyl ester Formula: C23H24ClFN2O3S MolecularWeight: 462.964663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NCC1=C(N=C2C=C(C=CC2=C1)F)OCC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C(CCSC)NCC1=C(N=C2C=C(C=CC2=C1)F)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C23H24ClFN2O3S/c1-29-23(28)20(9-10-31-2)26-13-17-11-15-7-8-18(25)12-21(15)27-22(17)30-14-16-5-3-4-6-19(16)24/h3-8,11-12,20,26H,9-10,13-14H2,1-2H3