5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-[3-(hydroxymethyl)thiophen-2-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-[3-(hydroxymethyl)thiophen-2-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-[3-(hydroxymethyl)-2-thienyl]ethyl]-2-isopropyl-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-[2-[3-(hydroxymethyl)-2-thiophenyl]ethyl]-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-[2-[3-(hydroxymethyl)thiophen-2-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-(3-methylol-2-thienyl)ethyl]-3H-pyran-4-one Formula: C26H35NO4S2 MolecularWeight: 489.6904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=C(C=CS3)CO)C(C)C)O)C(C)(C)C)N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=C(C=CS3)CO)C(C)C)O)C(C)(C)C)N

InChI

InChI=1S/C26H35NO4S2/c1-15(2)26(9-7-21-17(14-28)8-10-32-21)13-20(29)23(24(30)31-26)33-22-11-16(3)19(27)12-18(22)25(4,5)6/h8,10-12,15,28,30H,7,9,13-14,27H2,1-6H3