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

Systemtic Name: 1-(3-sulfanylpropanoyl)-4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: 1-(3-sulfanylpropanoyl)-4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrrole-2-carboxylic acid CAS Name: 1-(3-mercapto-1-oxopropyl)-4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: 1-(3-sulfanylpropanoyl)-4-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: 1-(3-mercaptopropanoyl)-4-[2-(trifluoromethyl)phenyl]-3-pyrroline-2-carboxylic acid Formula: C15H14F3NO3S MolecularWeight: 345.33677

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(N1C(=O)CCS)C(=O)O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C1C(=CC(N1C(=O)CCS)C(=O)O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C15H14F3NO3S/c16-15(17,18)11-4-2-1-3-10(11)9-7-12(14(21)22)19(8-9)13(20)5-6-23/h1-4,7,12,23H,5-6,8H2,(H,21,22)