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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-(dimethylaminomethyl)-7-hydroxy-2-(trifluoromethyl)chromone Formula: C20H15F3N2O3S MolecularWeight: 420.40491

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)O

Isomeric SMILES

CN(C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)O

InChI

InChI=1S/C20H15F3N2O3S/c1-25(2)9-11-13(26)8-7-10-16(27)15(18(20(21,22)23)28-17(10)11)19-24-12-5-3-4-6-14(12)29-19/h3-8,26H,9H2,1-2H3