3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-6-ethyl-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-6-ethyl-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-6-ethyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-6-ethyl-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-6-ethyl-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-6-ethyl-7-hydroxy-2-(trifluoromethyl)chromone Formula: C22H19F3N2O3S MolecularWeight: 448.45807

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)CN(C)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)CN(C)C)O

InChI

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