5-[4-tert-butyl-5-(hydroxymethyl)thiophen-3-yl]sulfanyl-2-[2-(4-fluorophenyl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 5-[4-tert-butyl-5-(hydroxymethyl)thiophen-3-yl]sulfanyl-2-[2-(4-fluorophenyl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-[[4-tert-butyl-5-(hydroxymethyl)-3-thienyl]sulfanyl]-2-[2-(4-fluorophenyl)ethyl]-6-hydroxy-2-isopropyl-3H-pyran-4-one CAS Name: 5-[[4-tert-butyl-5-(hydroxymethyl)-3-thiophenyl]thio]-2-[2-(4-fluorophenyl)ethyl]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-[4-tert-butyl-5-(hydroxymethyl)thiophen-3-yl]sulfanyl-2-[2-(4-fluorophenyl)ethyl]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(4-tert-butyl-5-methylol-3-thienyl)thio]-2-[2-(4-fluorophenyl)ethyl]-6-hydroxy-2-isopropyl-3H-pyran-4-one Formula: C25H31FO4S2 MolecularWeight: 478.639643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(=O)C(=C(O1)O)SC2=CSC(=C2C(C)(C)C)CO)CCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)C1(CC(=O)C(=C(O1)O)SC2=CSC(=C2C(C)(C)C)CO)CCC3=CC=C(C=C3)F

InChI

InChI=1S/C25H31FO4S2/c1-15(2)25(11-10-16-6-8-17(26)9-7-16)12-18(28)22(23(29)30-25)32-20-14-31-19(13-27)21(20)24(3,4)5/h6-9,14-15,27,29H,10-13H2,1-5H3