1-(3-ethanoylsulfanylpropanoyl)-4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanylpropanoyl)-4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanylpropanoyl)-4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrrole-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1-oxopropyl]-4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: 1-(3-acetylsulfanylpropanoyl)-4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)propanoyl]-4-[2-(trifluoromethyl)phenyl]-3-pyrroline-2-carboxylic acid Formula: C17H16F3NO4S MolecularWeight: 387.37345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1CC(=CC1C(=O)O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC(=O)SCCC(=O)N1CC(=CC1C(=O)O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C17H16F3NO4S/c1-10(22)26-7-6-15(23)21-9-11(8-14(21)16(24)25)12-4-2-3-5-13(12)17(18,19)20/h2-5,8,14H,6-7,9H2,1H3,(H,24,25)