methyl 2-[[2-(2-chloranylprop-2-enoxy)-7-methylsulfanyl-quinolin-3-yl]methylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-(2-chloranylprop-2-enoxy)-7-methylsulfanyl-quinolin-3-yl]methylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-(2-chloroallyloxy)-7-methylsulfanyl-3-quinolyl]methylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-(2-chloroprop-2-enoxy)-7-(methylthio)-3-quinolinyl]methylamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-chloroprop-2-enoxy)-7-methylsulfanylquinolin-3-yl]methylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(2-chloroallyloxy)-7-(methylthio)-3-quinolyl]methylamino]-4-(methylthio)butyric acid methyl ester Formula: C20H25ClN2O3S2 MolecularWeight: 441.0071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NCC1=C(N=C2C=C(C=CC2=C1)SC)OCC(=C)Cl

Isomeric SMILES

COC(=O)C(CCSC)NCC1=C(N=C2C=C(C=CC2=C1)SC)OCC(=C)Cl

InChI

InChI=1S/C20H25ClN2O3S2/c1-13(21)12-26-19-15(11-22-17(7-8-27-3)20(24)25-2)9-14-5-6-16(28-4)10-18(14)23-19/h5-6,9-10,17,22H,1,7-8,11-12H2,2-4H3