2-[5-[2,4-bis(fluoranyl)phenyl]carbonyl-1-methyl-4-methylsulfanyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[5-[2,4-bis(fluoranyl)phenyl]carbonyl-1-methyl-4-methylsulfanyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[5-(2,4-difluorobenzoyl)-1-methyl-4-methylsulfanyl-pyrrol-2-yl]acetic acid CAS Name: 2-[5-[(2,4-difluorophenyl)-oxomethyl]-1-methyl-4-(methylthio)-2-pyrrolyl]acetic acid IUPAC Name: 2-[5-(2,4-difluorobenzoyl)-1-methyl-4-methylsulfanylpyrrol-2-yl]acetic acid Traditional Name: 2-[5-(2,4-difluorobenzoyl)-1-methyl-4-(methylthio)pyrrol-2-yl]acetic acid Formula: C15H13F2NO3S MolecularWeight: 325.330426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F2NO3S/c1-18-9(7-13(19)20)6-12(22-2)14(18)15(21)10-4-3-8(16)5-11(10)17/h3-6H,7H2,1-2H3,(H,19,20)