5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-[2-(hydroxymethyl)thiophen-3-yl]ethyl]-6-oxidanyl-2-pentyl-3H-pyran-4-one

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-[2-(hydroxymethyl)thiophen-3-yl]ethyl]-6-oxidanyl-2-pentyl-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-[2-[2-(hydroxymethyl)-3-thienyl]ethyl]-2-pentyl-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-[2-[2-(hydroxymethyl)-3-thiophenyl]ethyl]-2-pentyl-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-[2-[2-(hydroxymethyl)thiophen-3-yl]ethyl]-2-pentyl-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-2-amyl-6-hydroxy-2-[2-(2-methylol-3-thienyl)ethyl]-3H-pyran-4-one Formula: C28H39NO4S2 MolecularWeight: 517.74356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CC(=O)C(=C(O1)O)SC2=CC(=C(C=C2C(C)(C)C)N)C)CCC3=C(SC=C3)CO

Isomeric SMILES

CCCCCC1(CC(=O)C(=C(O1)O)SC2=CC(=C(C=C2C(C)(C)C)N)C)CCC3=C(SC=C3)CO

InChI

InChI=1S/C28H39NO4S2/c1-6-7-8-11-28(12-9-19-10-13-34-24(19)17-30)16-22(31)25(26(32)33-28)35-23-14-18(2)21(29)15-20(23)27(3,4)5/h10,13-15,30,32H,6-9,11-12,16-17,29H2,1-5H3