3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-8-propyl-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-8-propyl-2-(trifluoromethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-propyl-2-(trifluoromethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-propyl-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-propyl-2-(trifluoromethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-propyl-2-(trifluoromethyl)chromone Formula: C22H18F3NO3S MolecularWeight: 433.44343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC(=C1O)CC)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCC1=C2C(=CC(=C1O)CC)C(=O)C(=C(O2)C(F)(F)F)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18F3NO3S/c1-3-7-12-17(27)11(4-2)10-13-18(28)16(20(22(23,24)25)29-19(12)13)21-26-14-8-5-6-9-15(14)30-21/h5-6,8-10,27H,3-4,7H2,1-2H3