3-(1,3-benzothiazol-2-yl)-8-[(diethylazaniumyl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[(diethylazaniumyl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[(diethylammonio)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[(diethylammonio)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[(diethylazaniumyl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[(diethylammonio)methyl]-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C22H19F3N2O3S MolecularWeight: 448.45807

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)[O-]

InChI

InChI=1S/C22H19F3N2O3S/c1-3-27(4-2)11-13-15(28)10-9-12-18(29)17(20(22(23,24)25)30-19(12)13)21-26-14-7-5-6-8-16(14)31-21/h5-10,28H,3-4,11H2,1-2H3