ethyl 2-[3-oxidanylidene-2-phenethyl-7-(trifluoromethylsulfonyloxy)-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoate

Systemtic Name: ethyl 2-[3-oxidanylidene-2-phenethyl-7-(trifluoromethylsulfonyloxy)-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoate Openeye Name: ethyl 2-[3-oxo-2-phenethyl-7-(trifluoromethylsulfonyloxy)-4,5-dihydro-1H-2-benzazepin-4-yl]acetate CAS Name: 2-[3-oxo-2-phenethyl-7-(trifluoromethylsulfonyloxy)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-oxo-2-phenethyl-7-(trifluoromethylsulfonyloxy)-4,5-dihydro-1H-2-benzazepin-4-yl]acetate Traditional Name: 2-(3-keto-2-phenethyl-7-triflyloxy-4,5-dihydro-1H-2-benzazepin-4-yl)acetic acid ethyl ester Formula: C23H24F3NO6S MolecularWeight: 499.49997

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CC2=C(CN(C1=O)CCC3=CC=CC=C3)C=CC(=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)CC1CC2=C(CN(C1=O)CCC3=CC=CC=C3)C=CC(=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C23H24F3NO6S/c1-2-32-21(28)14-19-12-18-13-20(33-34(30,31)23(24,25)26)9-8-17(18)15-27(22(19)29)11-10-16-6-4-3-5-7-16/h3-9,13,19H,2,10-12,14-15H2,1H3