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

Systemtic Name: 5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-[4-(hydroxymethyl)furan-3-yl]ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-6-hydroxy-2-[2-[4-(hydroxymethyl)-3-furyl]ethyl]-2-isopropyl-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-[2-[4-(hydroxymethyl)-3-furanyl]ethyl]-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-[2-[4-(hydroxymethyl)furan-3-yl]ethyl]-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(4-amino-2-tert-butyl-5-methyl-phenyl)thio]-6-hydroxy-2-isopropyl-2-[2-(4-methylol-3-furyl)ethyl]-3H-pyran-4-one Formula: C26H35NO5S MolecularWeight: 473.6248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=COC=C3CO)C(C)C)O)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=COC=C3CO)C(C)C)O)C(C)(C)C)N

InChI

InChI=1S/C26H35NO5S/c1-15(2)26(8-7-17-13-31-14-18(17)12-28)11-21(29)23(24(30)32-26)33-22-9-16(3)20(27)10-19(22)25(4,5)6/h9-10,13-15,28,30H,7-8,11-12,27H2,1-6H3