5-(4-azanyl-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-[2-[5-(hydroxymethyl)-1,3-thiazol-4-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-[5-(hydroxymethyl)-1,3-thiazol-4-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-[5-(hydroxymethyl)thiazol-4-yl]ethyl]-2-isopropyl-3H-pyran-4-one CAS Name: 5-[(4-amino-2-tert-butyl-5-methylphenyl)thio]-6-hydroxy-2-[2-[5-(hydroxymethyl)-4-thiazolyl]ethyl]-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-(4-amino-2-tert-butyl-5-methylphenyl)sulfanyl-6-hydroxy-2-[2-[5-(hydroxymethyl)-1,3-thiazol-4-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-(5-methylolthiazol-4-yl)ethyl]-3H-pyran-4-one Formula: C25H34N2O4S2 MolecularWeight: 490.67846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=C(SC=N3)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(SC=N3)CO)C(C)C)O)C(C)(C)C)N

InChI

InChI=1S/C25H34N2O4S2/c1-14(2)25(8-7-18-21(12-28)32-13-27-18)11-19(29)22(23(30)31-25)33-20-9-15(3)17(26)10-16(20)24(4,5)6/h9-10,13-14,28,30H,7-8,11-12,26H2,1-6H3