dimethyl 2-[[2-[(2-chlorophenyl)methoxy]-7-methylsulfanyl-quinolin-3-yl]methylamino]butanedioate

Systemtic Name: dimethyl 2-[[2-[(2-chlorophenyl)methoxy]-7-methylsulfanyl-quinolin-3-yl]methylamino]butanedioate Openeye Name: dimethyl 2-[[2-[(2-chlorophenyl)methoxy]-7-methylsulfanyl-3-quinolyl]methylamino]butanedioate CAS Name: 2-[[2-[(2-chlorophenyl)methoxy]-7-(methylthio)-3-quinolinyl]methylamino]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(2-chlorophenyl)methoxy]-7-methylsulfanylquinolin-3-yl]methylamino]butanedioate Traditional Name: 2-[[2-(2-chlorobenzyl)oxy-7-(methylthio)-3-quinolyl]methylamino]succinic acid dimethyl ester Formula: C24H25ClN2O5S MolecularWeight: 488.9837

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)NCC1=C(N=C2C=C(C=CC2=C1)SC)OCC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)CC(C(=O)OC)NCC1=C(N=C2C=C(C=CC2=C1)SC)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C24H25ClN2O5S/c1-30-22(28)12-21(24(29)31-2)26-13-17-10-15-8-9-18(33-3)11-20(15)27-23(17)32-14-16-6-4-5-7-19(16)25/h4-11,21,26H,12-14H2,1-3H3