tert-butyl (3S)-3-(4-chloranyl-2-methoxy-phenyl)-3-fluoranyl-2-oxidanylidene-6-(trifluoromethyl)indole-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(4-chloranyl-2-methoxy-phenyl)-3-fluoranyl-2-oxidanylidene-6-(trifluoromethyl)indole-1-carboxylate Openeye Name: tert-butyl (3S)-3-(4-chloro-2-methoxy-phenyl)-3-fluoro-2-oxo-6-(trifluoromethyl)indoline-1-carboxylate CAS Name: (3S)-3-(4-chloro-2-methoxyphenyl)-3-fluoro-2-oxo-6-(trifluoromethyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(4-chloro-2-methoxyphenyl)-3-fluoro-2-oxo-6-(trifluoromethyl)indole-1-carboxylate Traditional Name: (3S)-3-(4-chloro-2-methoxy-phenyl)-3-fluoro-2-keto-6-(trifluoromethyl)indoline-1-carboxylic acid tert-butyl ester Formula: C21H18ClF4NO4 MolecularWeight: 459.818533

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)C(F)(F)F)C(C1=O)(C3=C(C=C(C=C3)Cl)OC)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)C(F)(F)F)[C@@](C1=O)(C3=C(C=C(C=C3)Cl)OC)F

InChI

InChI=1S/C21H18ClF4NO4/c1-19(2,3)31-18(29)27-15-9-11(21(24,25)26)5-7-13(15)20(23,17(27)28)14-8-6-12(22)10-16(14)30-4/h5-10H,1-4H3/t20-/m0/s1