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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[(2-methylpiperidin-1-yl)methyl]-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(2-methyl-1-piperidyl)methyl]-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(2-methyl-1-piperidinyl)methyl]-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(2-methylpiperidino)methyl]-2-(trifluoromethyl)chromone Formula: C24H21F3N2O3S MolecularWeight: 474.49535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F)O

Isomeric SMILES

CC1CCCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F)O

InChI

InChI=1S/C24H21F3N2O3S/c1-13-6-4-5-11-29(13)12-15-17(30)10-9-14-20(31)19(22(24(25,26)27)32-21(14)15)23-28-16-7-2-3-8-18(16)33-23/h2-3,7-10,13,30H,4-6,11-12H2,1H3