1-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid Openeye Name: 1-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid CAS Name: 1-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid IUPAC Name: 1-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-phenylpyrrole-3-carboxylic acid Traditional Name: 1-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid Formula: C21H19ClFNO2S MolecularWeight: 403.897463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCSCC2=C(C=CC=C2Cl)F)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1CCSCC2=C(C=CC=C2Cl)F)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H19ClFNO2S/c1-14-16(21(25)26)12-20(15-6-3-2-4-7-15)24(14)10-11-27-13-17-18(22)8-5-9-19(17)23/h2-9,12H,10-11,13H2,1H3,(H,25,26)