ethyl (2S)-2-[[(S)-phenylsulfinyl]amino]-2-(trifluoromethyl)butanoate

Systemtic Name: ethyl (2S)-2-[[(S)-phenylsulfinyl]amino]-2-(trifluoromethyl)butanoate Openeye Name: ethyl (2S)-2-[[(S)-phenylsulfinyl]amino]-2-(trifluoromethyl)butanoate CAS Name: (2S)-2-[[(S)-phenylsulfinyl]amino]-2-(trifluoromethyl)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(S)-phenylsulfinyl]amino]-2-(trifluoromethyl)butanoate Traditional Name: (2S)-2-[[(S)-phenylsulfinyl]amino]-2-(trifluoromethyl)butyric acid ethyl ester Formula: C13H16F3NO3S MolecularWeight: 323.33125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)(C(F)(F)F)NS(=O)C1=CC=CC=C1

Isomeric SMILES

CC[C@](C(=O)OCC)(C(F)(F)F)N[S@@](=O)C1=CC=CC=C1

InChI

InChI=1S/C13H16F3NO3S/c1-3-12(13(14,15)16,11(18)20-4-2)17-21(19)10-8-6-5-7-9-10/h5-9,17H,3-4H2,1-2H3/t12-,21-/m0/s1