tert-butyl 3-(fluoranylmethyl)-7-[2,2,2-tris(fluoranyl)ethylsulfanyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-(fluoranylmethyl)-7-[2,2,2-tris(fluoranyl)ethylsulfanyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-(fluoromethyl)-7-(2,2,2-trifluoroethylsulfanyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-(fluoromethyl)-7-(2,2,2-trifluoroethylthio)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(fluoromethyl)-7-(2,2,2-trifluoroethylsulfanyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-(fluoromethyl)-7-(2,2,2-trifluoroethylthio)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C17H21F4NO2S MolecularWeight: 379.412753

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(CC1CF)C=CC(=C2)SCC(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(CC1CF)C=CC(=C2)SCC(F)(F)F

InChI

InChI=1S/C17H21F4NO2S/c1-16(2,3)24-15(23)22-9-12-7-14(25-10-17(19,20)21)5-4-11(12)6-13(22)8-18/h4-5,7,13H,6,8-10H2,1-3H3