methyl 6-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-indol-2-yl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-indol-2-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-indol-2-yl]pyridine-3-carboxylate CAS Name: 6-[1-[(4-fluorophenyl)methyl]-5-(methyldioxythio)-2-indolyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanylindol-2-yl]pyridine-3-carboxylate Traditional Name: 6-[1-(4-fluorobenzyl)-5-(methylperoxythio)indol-2-yl]nicotinic acid methyl ester Formula: C23H19FN2O4S MolecularWeight: 438.471363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C2=CC3=C(N2CC4=CC=C(C=C4)F)C=CC(=C3)SOOC

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C2=CC3=C(N2CC4=CC=C(C=C4)F)C=CC(=C3)SOOC

InChI

InChI=1S/C23H19FN2O4S/c1-28-23(27)16-5-9-20(25-13-16)22-12-17-11-19(31-30-29-2)8-10-21(17)26(22)14-15-3-6-18(24)7-4-15/h3-13H,14H2,1-2H3