6-[3-fluoranyl-4-(pyridin-3-ylmethoxy)phenyl]-3-[3-methyl-1-(phenylmethylsulfanyl)butyl]-2-oxidanyl-pyran-4-one

Systemtic Name: 6-[3-fluoranyl-4-(pyridin-3-ylmethoxy)phenyl]-3-[3-methyl-1-(phenylmethylsulfanyl)butyl]-2-oxidanyl-pyran-4-one Openeye Name: 3-(1-benzylsulfanyl-3-methyl-butyl)-6-[3-fluoro-4-(3-pyridylmethoxy)phenyl]-2-hydroxy-pyran-4-one CAS Name: 6-[3-fluoro-4-(3-pyridinylmethoxy)phenyl]-2-hydroxy-3-[3-methyl-1-(phenylmethylthio)butyl]-4-pyranone IUPAC Name: 3-(1-benzylsulfanyl-3-methylbutyl)-6-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]-2-hydroxypyran-4-one Traditional Name: 3-[1-(benzylthio)-3-methyl-butyl]-6-[3-fluoro-4-(3-pyridylmethoxy)phenyl]-2-hydroxy-pyran-4-one Formula: C29H28FNO4S MolecularWeight: 505.600323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=C(OC(=CC1=O)C2=CC(=C(C=C2)OCC3=CN=CC=C3)F)O)SCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC(C1=C(OC(=CC1=O)C2=CC(=C(C=C2)OCC3=CN=CC=C3)F)O)SCC4=CC=CC=C4

InChI

InChI=1S/C29H28FNO4S/c1-19(2)13-27(36-18-20-7-4-3-5-8-20)28-24(32)15-26(35-29(28)33)22-10-11-25(23(30)14-22)34-17-21-9-6-12-31-16-21/h3-12,14-16,19,27,33H,13,17-18H2,1-2H3