2-[3-cyano-4-[3-ethylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-cyano-4-[3-ethylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-cyano-4-[3-ethylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid CAS Name: 2-[3-cyano-4-[3-ethylsulfonyl-5-(trifluoromethyl)phenyl]-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-cyano-4-[3-ethylsulfonyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid Traditional Name: 2-[3-cyano-4-[3-esyl-5-(trifluoromethyl)phenyl]pyrrol-1-yl]acetic acid Formula: C16H13F3N2O4S MolecularWeight: 386.34563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C2=CN(C=C2C#N)CC(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C2=CN(C=C2C#N)CC(=O)O

InChI

InChI=1S/C16H13F3N2O4S/c1-2-26(24,25)13-4-10(3-12(5-13)16(17,18)19)14-8-21(9-15(22)23)7-11(14)6-20/h3-5,7-8H,2,9H2,1H3,(H,22,23)