ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(trifluoromethylsulfonyloxy)indole-2-carboxylate

Systemtic Name: ethyl 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(trifluoromethylsulfonyloxy)indole-2-carboxylate Openeye Name: ethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(trifluoromethylsulfonyloxy)indole-2-carboxylate CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(trifluoromethylsulfonyloxy)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(trifluoromethylsulfonyloxy)indole-2-carboxylate Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-triflyloxy-indole-2-carboxylic acid ethyl ester Formula: C20H15ClF3NO7S MolecularWeight: 505.84881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=CC(=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=CC(=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H15ClF3NO7S/c1-2-29-19(26)16-6-11-5-13(32-33(27,28)20(22,23)24)3-4-15(11)25(16)9-12-7-17-18(8-14(12)21)31-10-30-17/h3-8H,2,9-10H2,1H3