2-dimethylaminoethyl 2-[[8-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate dihydrochloride

Systemtic Name: 2-dimethylaminoethyl 2-[[8-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate dihydrochloride Openeye Name: 2-dimethylaminoethyl 2-[[8-(trifluoromethylsulfanyl)-4-quinolyl]amino]benzoate dihydrochloride CAS Name: 2-[[8-(trifluoromethylthio)-4-quinolinyl]amino]benzoic acid 2-dimethylaminoethyl ester dihydrochloride IUPAC Name: 2-dimethylaminoethyl 2-[[8-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate dihydrochloride Traditional Name: 2-[[8-(trifluoromethylthio)-4-quinolyl]amino]benzoic acid 2-dimethylaminoethyl ester dihydrochloride Formula: C21H22Cl2F3N3O2S MolecularWeight: 508.38449

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2)SC(F)(F)F.Cl.Cl

Isomeric SMILES

CN(C)CCOC(=O)C1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2)SC(F)(F)F.Cl.Cl

InChI

InChI=1S/C21H20F3N3O2S.2ClH/c1-27(2)12-13-29-20(28)15-6-3-4-8-16(15)26-17-10-11-25-19-14(17)7-5-9-18(19)30-21(22,23)24;;/h3-11H,12-13H2,1-2H3,(H,25,26);2*1H