ethyl 7-chloranyl-2-methyl-1-oxidanylidene-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-2-methyl-1-oxidanylidene-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate Openeye Name: ethyl 7-chloro-2-methyl-1-oxo-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate CAS Name: 7-chloro-2-methyl-1-oxo-4-(trifluoromethylsulfonyloxy)-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-2-methyl-1-oxo-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate Traditional Name: 7-chloro-1-keto-2-methyl-4-triflyloxy-isoquinoline-3-carboxylic acid ethyl ester Formula: C14H11ClF3NO6S MolecularWeight: 413.75345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C(C=C2)Cl)C(=O)N1C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C(C=C2)Cl)C(=O)N1C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C14H11ClF3NO6S/c1-3-24-13(21)10-11(25-26(22,23)14(16,17)18)8-5-4-7(15)6-9(8)12(20)19(10)2/h4-6H,3H2,1-2H3