5-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-[2-(4-fluoranyl-2-methyl-phenyl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 5-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-[2-(4-fluoranyl-2-methyl-phenyl)ethyl]-6-oxidanyl-2-propan-2-yl-3H-pyran-4-one Openeye Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-[2-(4-fluoro-2-methyl-phenyl)ethyl]-6-hydroxy-2-isopropyl-3H-pyran-4-one CAS Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-2-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one IUPAC Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydroxy-2-propan-2-yl-3H-pyran-4-one Traditional Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-2-[2-(4-fluoro-2-methyl-phenyl)ethyl]-6-hydroxy-2-isopropyl-3H-pyran-4-one Formula: C28H33FN2O3S2 MolecularWeight: 528.701623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)CCC2(CC(=O)C(=C(O2)O)SC3=CC4=C(C=C3C(C)(C)C)N=C(S4)N)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)F)CCC2(CC(=O)C(=C(O2)O)SC3=CC4=C(C=C3C(C)(C)C)N=C(S4)N)C(C)C

InChI

InChI=1S/C28H33FN2O3S2/c1-15(2)28(10-9-17-7-8-18(29)11-16(17)3)14-21(32)24(25(33)34-28)35-22-13-23-20(31-26(30)36-23)12-19(22)27(4,5)6/h7-8,11-13,15,33H,9-10,14H2,1-6H3,(H2,30,31)