2-[[2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]ethyl N-(4-chlorophenyl)carbamate

Systemtic Name: 2-[[2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]ethyl N-(4-chlorophenyl)carbamate Openeye Name: 2-[[2-(trifluoromethyl)-6-quinolyl]methylsulfanyl]ethyl N-(4-chlorophenyl)carbamate CAS Name: N-(4-chlorophenyl)carbamic acid 2-[[2-(trifluoromethyl)-6-quinolinyl]methylthio]ethyl ester IUPAC Name: 2-[[2-(trifluoromethyl)quinolin-6-yl]methylsulfanyl]ethyl N-(4-chlorophenyl)carbamate Traditional Name: N-(4-chlorophenyl)carbamic acid 2-[[2-(trifluoromethyl)-6-quinolyl]methylthio]ethyl ester Formula: C20H16ClF3N2O2S MolecularWeight: 440.86645

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)OCCSCC2=CC3=C(C=C2)N=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)OCCSCC2=CC3=C(C=C2)N=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C20H16ClF3N2O2S/c21-15-3-5-16(6-4-15)25-19(27)28-9-10-29-12-13-1-7-17-14(11-13)2-8-18(26-17)20(22,23)24/h1-8,11H,9-10,12H2,(H,25,27)