[3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C24H20F3NO4S MolecularWeight: 475.48011

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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)OC(=O)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H20F3NO4S/c1-5-12-10-13-16(11-15(12)32-22(30)23(2,3)4)31-20(24(25,26)27)18(19(13)29)21-28-14-8-6-7-9-17(14)33-21/h6-11H,5H2,1-4H3