[3-(4-bromophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate

Systemtic Name: [3-(4-bromophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate Openeye Name: [3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-bromophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-(4-bromophenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C21H10BrF3O4S MolecularWeight: 495.26591

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CSC(=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H10BrF3O4S/c22-12-5-3-11(4-6-12)17-18(26)14-8-7-13(28-20(27)16-2-1-9-30-16)10-15(14)29-19(17)21(23,24)25/h1-10H