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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-8-[(2-ethyl-1-piperidyl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[(2-ethyl-1-piperidinyl)methyl]-7-hydroxy-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-8-[(2-ethylpiperidin-1-yl)methyl]-7-hydroxy-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[(2-ethylpiperidino)methyl]-7-hydroxy-2-(trifluoromethyl)chromone Formula: C25H23F3N2O3S MolecularWeight: 488.52193

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F)O

Isomeric SMILES

CCC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F)O

InChI

InChI=1S/C25H23F3N2O3S/c1-2-14-7-5-6-12-30(14)13-16-18(31)11-10-15-21(32)20(23(25(26,27)28)33-22(15)16)24-29-17-8-3-4-9-19(17)34-24/h3-4,8-11,14,31H,2,5-7,12-13H2,1H3