2-[5-(4-fluorophenyl)carbonyl-1-methyl-4-methylsulfanyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[5-(4-fluorophenyl)carbonyl-1-methyl-4-methylsulfanyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-(4-fluorobenzoyl)-1-methyl-4-methylsulfanyl-pyrrol-2-yl]acetic acid CAS Name: 2-[5-[(4-fluorophenyl)-oxomethyl]-1-methyl-4-(methylthio)-2-pyrrolyl]acetic acid IUPAC Name: 2-[5-(4-fluorobenzoyl)-1-methyl-4-methylsulfanylpyrrol-2-yl]acetic acid Traditional Name: 2-[5-(4-fluorobenzoyl)-1-methyl-4-(methylthio)pyrrol-2-yl]acetic acid Formula: C15H14FNO3S MolecularWeight: 307.339963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)F)SC)CC(=O)O

Isomeric SMILES

CN1C(=CC(=C1C(=O)C2=CC=C(C=C2)F)SC)CC(=O)O

InChI

InChI=1S/C15H14FNO3S/c1-17-11(8-13(18)19)7-12(21-2)14(17)15(20)9-3-5-10(16)6-4-9/h3-7H,8H2,1-2H3,(H,18,19)