3-(1,3-benzothiazol-2-yl)-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-7-oxidanyl-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(1-pyrrolidinylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(pyrrolidinomethyl)-2-(trifluoromethyl)chromone Formula: C22H17F3N2O3S MolecularWeight: 446.44219

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F)O

Isomeric SMILES

C1CCN(C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F)O

InChI

InChI=1S/C22H17F3N2O3S/c23-22(24,25)20-17(21-26-14-5-1-2-6-16(14)31-21)18(29)12-7-8-15(28)13(19(12)30-20)11-27-9-3-4-10-27/h1-2,5-8,28H,3-4,9-11H2