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

Systemtic Name: 5-[3-tert-butyl-2-(hydroxymethyl)-6-methyl-pyridin-4-yl]sulfanyl-6-oxidanyl-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one Openeye Name: 5-[[3-tert-butyl-2-(hydroxymethyl)-6-methyl-4-pyridyl]sulfanyl]-6-hydroxy-2-isopropyl-2-[2-(3-thienyl)ethyl]-3H-pyran-4-one CAS Name: 5-[[3-tert-butyl-2-(hydroxymethyl)-6-methyl-4-pyridinyl]thio]-6-hydroxy-2-propan-2-yl-2-[2-(3-thiophenyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-[3-tert-butyl-2-(hydroxymethyl)-6-methylpyridin-4-yl]sulfanyl-6-hydroxy-2-propan-2-yl-2-(2-thiophen-3-ylethyl)-3H-pyran-4-one Traditional Name: 5-[(3-tert-butyl-6-methyl-2-methylol-4-pyridyl)thio]-6-hydroxy-2-isopropyl-2-[2-(3-thienyl)ethyl]-3H-pyran-4-one Formula: C25H33NO4S2 MolecularWeight: 475.66382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CSC=C3)C(C)C)O)C(C)(C)C)CO

Isomeric SMILES

CC1=NC(=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CSC=C3)C(C)C)O)C(C)(C)C)CO

InChI

InChI=1S/C25H33NO4S2/c1-15(2)25(9-7-17-8-10-31-14-17)12-19(28)22(23(29)30-25)32-20-11-16(3)26-18(13-27)21(20)24(4,5)6/h8,10-11,14-15,27,29H,7,9,12-13H2,1-6H3