5-(1,3-benzothiazol-2-yl)-6,6,6-tris(fluoranyl)-5-oxidanyl-1-phenyl-3-pyrrolidin-1-yl-hex-2-en-1-one

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-6,6,6-tris(fluoranyl)-5-oxidanyl-1-phenyl-3-pyrrolidin-1-yl-hex-2-en-1-one Openeye Name: 5-(1,3-benzothiazol-2-yl)-6,6,6-trifluoro-5-hydroxy-1-phenyl-3-pyrrolidin-1-yl-hex-2-en-1-one CAS Name: 5-(1,3-benzothiazol-2-yl)-6,6,6-trifluoro-5-hydroxy-1-phenyl-3-(1-pyrrolidinyl)-2-hexen-1-one IUPAC Name: 5-(1,3-benzothiazol-2-yl)-6,6,6-trifluoro-5-hydroxy-1-phenyl-3-pyrrolidin-1-ylhex-2-en-1-one Traditional Name: 5-(1,3-benzothiazol-2-yl)-6,6,6-trifluoro-5-hydroxy-1-phenyl-3-pyrrolidino-hex-2-en-1-one Formula: C23H21F3N2O2S MolecularWeight: 446.48525

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=CC(=O)C2=CC=CC=C2)CC(C3=NC4=CC=CC=C4S3)(C(F)(F)F)O

Isomeric SMILES

C1CCN(C1)C(=CC(=O)C2=CC=CC=C2)CC(C3=NC4=CC=CC=C4S3)(C(F)(F)F)O

InChI

InChI=1S/C23H21F3N2O2S/c24-23(25,26)22(30,21-27-18-10-4-5-11-20(18)31-21)15-17(28-12-6-7-13-28)14-19(29)16-8-2-1-3-9-16/h1-5,8-11,14,30H,6-7,12-13,15H2