1-(3-sulfanylpropanoyl)-5-[4-(trifluoromethyl)phenyl]-2H-pyrrole-5-carboxylic acid

Systemtic Name: 1-(3-sulfanylpropanoyl)-5-[4-(trifluoromethyl)phenyl]-2H-pyrrole-5-carboxylic acid Openeye Name: 1-(3-sulfanylpropanoyl)-5-[4-(trifluoromethyl)phenyl]-2H-pyrrole-5-carboxylic acid CAS Name: 1-(3-mercapto-1-oxopropyl)-5-[4-(trifluoromethyl)phenyl]-2H-pyrrole-5-carboxylic acid IUPAC Name: 1-(3-sulfanylpropanoyl)-5-[4-(trifluoromethyl)phenyl]-2H-pyrrole-5-carboxylic acid Traditional Name: 1-(3-mercaptopropanoyl)-2-[4-(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)(C2=CC=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

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

InChI

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