3-(1,3-benzothiazol-2-yl)-7-oxidanyl-6-propyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-7-oxidanyl-6-propyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-6-propyl-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-6-propyl-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-6-propyl-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-6-propyl-2-(trifluoromethyl)chromone Formula: C20H14F3NO3S MolecularWeight: 405.39027

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)O

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3)O

InChI

InChI=1S/C20H14F3NO3S/c1-2-5-10-8-11-14(9-13(10)25)27-18(20(21,22)23)16(17(11)26)19-24-12-6-3-4-7-15(12)28-19/h3-4,6-9,25H,2,5H2,1H3