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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-(morpholin-4-ylmethyl)-7-oxidanyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(morpholinomethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(4-morpholinylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(morpholinomethyl)-2-(trifluoromethyl)chromone Formula: C22H17F3N2O4S MolecularWeight: 462.44159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F)O

Isomeric SMILES

C1COCCN1CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F)O

InChI

InChI=1S/C22H17F3N2O4S/c23-22(24,25)20-17(21-26-14-3-1-2-4-16(14)32-21)18(29)12-5-6-15(28)13(19(12)31-20)11-27-7-9-30-10-8-27/h1-6,28H,7-11H2