3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-4-oxo-8-(1-pyrrolidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-keto-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Formula: C22H17F3N2O3S MolecularWeight: 446.44219

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F)[O-]

Isomeric SMILES

C1CC[NH+](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