methyl 2-[[7-chloranyl-2-(2-phenoxyethoxy)quinolin-3-yl]methylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[7-chloranyl-2-(2-phenoxyethoxy)quinolin-3-yl]methylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[7-chloro-2-(2-phenoxyethoxy)-3-quinolyl]methylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[7-chloro-2-(2-phenoxyethoxy)-3-quinolinyl]methylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[7-chloro-2-(2-phenoxyethoxy)quinolin-3-yl]methylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[[7-chloro-2-(2-phenoxyethoxy)-3-quinolyl]methylamino]-4-(methylthio)butyric acid methyl ester Formula: C24H27ClN2O4S MolecularWeight: 475.00018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NCC1=C(N=C2C=C(C=CC2=C1)Cl)OCCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NCC1=C(N=C2C=C(C=CC2=C1)Cl)OCCOC3=CC=CC=C3

InChI

InChI=1S/C24H27ClN2O4S/c1-29-24(28)21(10-13-32-2)26-16-18-14-17-8-9-19(25)15-22(17)27-23(18)31-12-11-30-20-6-4-3-5-7-20/h3-9,14-15,21,26H,10-13,16H2,1-2H3