3-(3-bromanyl-4-oxidanylidene-4-phenyl-butanoyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-(3-bromanyl-4-oxidanylidene-4-phenyl-butanoyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(3-bromo-4-oxo-4-phenyl-butanoyl)-2-[3-(trifluoromethyl)phenyl]thiazolidine-4-carboxylic acid CAS Name: 3-(3-bromo-1,4-dioxo-4-phenylbutyl)-2-[3-(trifluoromethyl)phenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-(3-bromo-4-oxo-4-phenylbutanoyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(3-bromo-4-keto-4-phenyl-butanoyl)-2-[3-(trifluoromethyl)phenyl]thiazolidine-4-carboxylic acid Formula: C21H17BrF3NO4S MolecularWeight: 516.32819

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(S1)C2=CC(=CC=C2)C(F)(F)F)C(=O)CC(C(=O)C3=CC=CC=C3)Br)C(=O)O

Isomeric SMILES

C1C(N(C(S1)C2=CC(=CC=C2)C(F)(F)F)C(=O)CC(C(=O)C3=CC=CC=C3)Br)C(=O)O

InChI

InChI=1S/C21H17BrF3NO4S/c22-15(18(28)12-5-2-1-3-6-12)10-17(27)26-16(20(29)30)11-31-19(26)13-7-4-8-14(9-13)21(23,24)25/h1-9,15-16,19H,10-11H2,(H,29,30)