tert-butyl 4-ethylsulfanyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate

Systemtic Name: tert-butyl 4-ethylsulfanyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate Openeye Name: tert-butyl 4-ethylsulfanyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate CAS Name: 4-(ethylthio)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-ethylsulfanyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate Traditional Name: 4-(ethylthio)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester Formula: C17H22F3NO2S MolecularWeight: 361.42229

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1CCN(C2=C1C=C(C=C2)C(F)(F)F)C(=O)OC(C)(C)C

Isomeric SMILES

CCSC1CCN(C2=C1C=C(C=C2)C(F)(F)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H22F3NO2S/c1-5-24-14-8-9-21(15(22)23-16(2,3)4)13-7-6-11(10-12(13)14)17(18,19)20/h6-7,10,14H,5,8-9H2,1-4H3