ethyl (1Z)-1-(trifluoromethylsulfonylimino)-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: ethyl (1Z)-1-(trifluoromethylsulfonylimino)-3,4-dihydroisochromene-3-carboxylate Openeye Name: ethyl (1Z)-1-(trifluoromethylsulfonylimino)isochromane-3-carboxylate CAS Name: (1Z)-1-(trifluoromethylsulfonylimino)-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (1Z)-1-(trifluoromethylsulfonylimino)-3,4-dihydroisochromene-3-carboxylate Traditional Name: (1Z)-1-triflyliminoisochroman-3-carboxylic acid ethyl ester Formula: C13H12F3NO5S MolecularWeight: 351.29829

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2C(=NS(=O)(=O)C(F)(F)F)O1

Isomeric SMILES

CCOC(=O)C1CC2=CC=CC=C2/C(=N/S(=O)(=O)C(F)(F)F)/O1

InChI

InChI=1S/C13H12F3NO5S/c1-2-21-12(18)10-7-8-5-3-4-6-9(8)11(22-10)17-23(19,20)13(14,15)16/h3-6,10H,2,7H2,1H3/b17-11-