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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(3-methylpiperidin-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(3-methyl-1-piperidyl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(3-methyl-1-piperidinyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(3-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(3-methylpiperidino)methyl]-2-(trifluoromethyl)chromone Formula: C26H25F3N2O3S MolecularWeight: 502.54851

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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)CN5CCCC(C5)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)CN5CCCC(C5)C)O

InChI

InChI=1S/C26H25F3N2O3S/c1-3-15-11-16-22(33)20(25-30-18-8-4-5-9-19(18)35-25)24(26(27,28)29)34-23(16)17(21(15)32)13-31-10-6-7-14(2)12-31/h4-5,8-9,11,14,32H,3,6-7,10,12-13H2,1-2H3