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

Systemtic Name: 5-[[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-indol-2-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-indol-2-yl]methyl]furan-2-carboxylic acid CAS Name: 5-[[1-[(4-fluorophenyl)methyl]-5-(methyldioxythio)-2-indolyl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanylindol-2-yl]methyl]furan-2-carboxylic acid Traditional Name: 5-[[1-(4-fluorobenzyl)-5-(methylperoxythio)indol-2-yl]methyl]-2-furoic acid Formula: C22H18FNO5S MolecularWeight: 427.445423

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Descriptors Computed from Structure

Canonical SMILES:

COOSC1=CC2=C(C=C1)N(C(=C2)CC3=CC=C(O3)C(=O)O)CC4=CC=C(C=C4)F

Isomeric SMILES

COOSC1=CC2=C(C=C1)N(C(=C2)CC3=CC=C(O3)C(=O)O)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FNO5S/c1-27-29-30-19-7-8-20-15(11-19)10-17(12-18-6-9-21(28-18)22(25)26)24(20)13-14-2-4-16(23)5-3-14/h2-11H,12-13H2,1H3,(H,25,26)