3-ethyl-2-oxidanyl-5-(1-thiophen-2-ylethyl)-6-[1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyran-4-one

Systemtic Name: 3-ethyl-2-oxidanyl-5-(1-thiophen-2-ylethyl)-6-[1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyran-4-one Openeye Name: 3-ethyl-2-hydroxy-5-[1-(2-thienyl)ethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]propyl]pyran-4-one CAS Name: 3-ethyl-2-hydroxy-5-(1-thiophen-2-ylethyl)-6-[1-[4-(trifluoromethyl)phenyl]butan-2-yl]-4-pyranone IUPAC Name: 3-ethyl-2-hydroxy-5-(1-thiophen-2-ylethyl)-6-[1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyran-4-one Traditional Name: 3-ethyl-2-hydroxy-5-[1-(2-thienyl)ethyl]-6-[1-[4-(trifluoromethyl)benzyl]propyl]pyran-4-one Formula: C24H25F3O3S MolecularWeight: 450.51371

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(=C(C1=O)C(C)C2=CC=CS2)C(CC)CC3=CC=C(C=C3)C(F)(F)F)O

Isomeric SMILES

CCC1=C(OC(=C(C1=O)C(C)C2=CC=CS2)C(CC)CC3=CC=C(C=C3)C(F)(F)F)O

InChI

InChI=1S/C24H25F3O3S/c1-4-16(13-15-8-10-17(11-9-15)24(25,26)27)22-20(14(3)19-7-6-12-31-19)21(28)18(5-2)23(29)30-22/h6-12,14,16,29H,4-5,13H2,1-3H3