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

Systemtic Name: 5-[(2-azanyl-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-cyclopentyl-2-[2-(3-fluorophenyl)ethyl]-6-oxidanyl-3H-pyran-4-one Openeye Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-cyclopentyl-2-[2-(3-fluorophenyl)ethyl]-6-hydroxy-3H-pyran-4-one CAS Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-2-cyclopentyl-2-[2-(3-fluorophenyl)ethyl]-6-hydroxy-3H-pyran-4-one IUPAC Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)sulfanyl]-2-cyclopentyl-2-[2-(3-fluorophenyl)ethyl]-6-hydroxy-3H-pyran-4-one Traditional Name: 5-[(2-amino-5-tert-butyl-1,3-benzothiazol-6-yl)thio]-2-cyclopentyl-2-[2-(3-fluorophenyl)ethyl]-6-hydroxy-3H-pyran-4-one Formula: C29H33FN2O3S2 MolecularWeight: 540.712323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1SC3=C(OC(CC3=O)(CCC4=CC(=CC=C4)F)C5CCCC5)O)SC(=N2)N

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1SC3=C(OC(CC3=O)(CCC4=CC(=CC=C4)F)C5CCCC5)O)SC(=N2)N

InChI

InChI=1S/C29H33FN2O3S2/c1-28(2,3)20-14-21-24(37-27(31)32-21)15-23(20)36-25-22(33)16-29(35-26(25)34,18-8-4-5-9-18)12-11-17-7-6-10-19(30)13-17/h6-7,10,13-15,18,34H,4-5,8-9,11-12,16H2,1-3H3,(H2,31,32)