5-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-indol-2-yl]furan-2-carboxylic acid

Systemtic Name: 5-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-indol-2-yl]furan-2-carboxylic acid Openeye Name: 5-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-indol-2-yl]furan-2-carboxylic acid CAS Name: 5-[1-[(4-fluorophenyl)methyl]-5-(methyldioxythio)-2-indolyl]-2-furancarboxylic acid IUPAC Name: 5-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanylindol-2-yl]furan-2-carboxylic acid Traditional Name: 5-[1-(4-fluorobenzyl)-5-(methylperoxythio)indol-2-yl]-2-furoic acid Formula: C21H16FNO5S MolecularWeight: 413.418843

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Descriptors Computed from Structure

Canonical SMILES:

COOSC1=CC2=C(C=C1)N(C(=C2)C3=CC=C(O3)C(=O)O)CC4=CC=C(C=C4)F

Isomeric SMILES

COOSC1=CC2=C(C=C1)N(C(=C2)C3=CC=C(O3)C(=O)O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FNO5S/c1-26-28-29-16-6-7-17-14(10-16)11-18(19-8-9-20(27-19)21(24)25)23(17)12-13-2-4-15(22)5-3-13/h2-11H,12H2,1H3,(H,24,25)