tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)-4-(trifluoromethylsulfonyloxy)indole-1-carboxylate

Systemtic Name: tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)-4-(trifluoromethylsulfonyloxy)indole-1-carboxylate Openeye Name: tert-butyl 3-(2-methyloxazol-5-yl)-4-(trifluoromethylsulfonyloxy)indole-1-carboxylate CAS Name: 3-(2-methyl-5-oxazolyl)-4-(trifluoromethylsulfonyloxy)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-methyl-1,3-oxazol-5-yl)-4-(trifluoromethylsulfonyloxy)indole-1-carboxylate Traditional Name: 3-(2-methyloxazol-5-yl)-4-triflyloxy-indole-1-carboxylic acid tert-butyl ester Formula: C18H17F3N2O6S MolecularWeight: 446.39759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(O1)C2=CN(C3=C2C(=CC=C3)OS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC=C(O1)C2=CN(C3=C2C(=CC=C3)OS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H17F3N2O6S/c1-10-22-8-14(27-10)11-9-23(16(24)28-17(2,3)4)12-6-5-7-13(15(11)12)29-30(25,26)18(19,20)21/h5-9H,1-4H3