5-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-[2-(3-fluorophenyl)ethyl]-6-oxidanyl-2-pentyl-3H-pyran-4-one

Systemtic Name: 5-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-[2-(3-fluorophenyl)ethyl]-6-oxidanyl-2-pentyl-3H-pyran-4-one Openeye Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-[2-(3-fluorophenyl)ethyl]-6-hydroxy-2-pentyl-3H-pyran-4-one CAS Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-2-[2-(3-fluorophenyl)ethyl]-6-hydroxy-2-pentyl-3H-pyran-4-one IUPAC Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-[2-(3-fluorophenyl)ethyl]-6-hydroxy-2-pentyl-3H-pyran-4-one Traditional Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-2-amyl-2-[2-(3-fluorophenyl)ethyl]-6-hydroxy-3H-pyran-4-one Formula: C29H35FN2O3S2 MolecularWeight: 542.728203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CC(=O)C(=C(O1)O)SC2=CC3=C(C=C2C(C)(C)C)N=C(S3)N)CCC4=CC(=CC=C4)F

Isomeric SMILES

CCCCCC1(CC(=O)C(=C(O1)O)SC2=CC3=C(C=C2C(C)(C)C)N=C(S3)N)CCC4=CC(=CC=C4)F

InChI

InChI=1S/C29H35FN2O3S2/c1-5-6-7-12-29(13-11-18-9-8-10-19(30)14-18)17-22(33)25(26(34)35-29)36-23-16-24-21(32-27(31)37-24)15-20(23)28(2,3)4/h8-10,14-16,34H,5-7,11-13,17H2,1-4H3,(H2,31,32)