ethyl 2-[6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate

Systemtic Name: ethyl 2-[6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: ethyl 2-[6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinolin-2-yl]acetate CAS Name: 2-[6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinolin-2-yl]acetate Traditional Name: 2-(6-triflyloxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid ethyl ester Formula: C14H16F3NO5S MolecularWeight: 367.34075

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC2=C(C1)C=CC(=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)CN1CCC2=C(C1)C=CC(=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H16F3NO5S/c1-2-22-13(19)9-18-6-5-10-7-12(4-3-11(10)8-18)23-24(20,21)14(15,16)17/h3-4,7H,2,5-6,8-9H2,1H3