3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(2-ethylpiperidin-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(2-ethylpiperidin-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(2-ethyl-1-piperidyl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(2-ethyl-1-piperidinyl)methyl]-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(2-ethylpiperidino)methyl]-7-hydroxy-2-(trifluoromethyl)chromone Formula: C27H27F3N2O3S MolecularWeight: 516.57509

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=C3C(=CC(=C2O)CC)C(=O)C(=C(O3)C(F)(F)F)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1CCCCN1CC2=C3C(=CC(=C2O)CC)C(=O)C(=C(O3)C(F)(F)F)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H27F3N2O3S/c1-3-15-13-17-23(34)21(26-31-19-10-5-6-11-20(19)36-26)25(27(28,29)30)35-24(17)18(22(15)33)14-32-12-8-7-9-16(32)4-2/h5-6,10-11,13,16,33H,3-4,7-9,12,14H2,1-2H3