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

Systemtic Name: 3-cyclopropyl-2-oxidanyl-5-(1-thiophen-2-ylethyl)-6-[1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyran-4-one Openeye Name: 3-cyclopropyl-2-hydroxy-5-[1-(2-thienyl)ethyl]-6-[1-[[4-(trifluoromethyl)phenyl]methyl]propyl]pyran-4-one CAS Name: 3-cyclopropyl-2-hydroxy-5-(1-thiophen-2-ylethyl)-6-[1-[4-(trifluoromethyl)phenyl]butan-2-yl]-4-pyranone IUPAC Name: 3-cyclopropyl-2-hydroxy-5-(1-thiophen-2-ylethyl)-6-[1-[4-(trifluoromethyl)phenyl]butan-2-yl]pyran-4-one Traditional Name: 3-cyclopropyl-2-hydroxy-5-[1-(2-thienyl)ethyl]-6-[1-[4-(trifluoromethyl)benzyl]propyl]pyran-4-one Formula: C25H25F3O3S MolecularWeight: 462.52441

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=C(C=C1)C(F)(F)F)C2=C(C(=O)C(=C(O2)O)C3CC3)C(C)C4=CC=CS4

Isomeric SMILES

CCC(CC1=CC=C(C=C1)C(F)(F)F)C2=C(C(=O)C(=C(O2)O)C3CC3)C(C)C4=CC=CS4

InChI

InChI=1S/C25H25F3O3S/c1-3-16(13-15-6-10-18(11-7-15)25(26,27)28)23-20(14(2)19-5-4-12-32-19)22(29)21(17-8-9-17)24(30)31-23/h4-7,10-12,14,16-17,30H,3,8-9,13H2,1-2H3