3-(4-ethylphenyl)carbonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-(4-ethylphenyl)carbonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(4-ethylbenzoyl)-2-[4-(trifluoromethyl)phenyl]thiazolidine-4-carboxylic acid CAS Name: 3-[(4-ethylphenyl)-oxomethyl]-2-[4-(trifluoromethyl)phenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-(4-ethylbenzoyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(4-ethylbenzoyl)-2-[4-(trifluoromethyl)phenyl]thiazolidine-4-carboxylic acid Formula: C20H18F3NO3S MolecularWeight: 409.42203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2C(CSC2C3=CC=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2C(CSC2C3=CC=C(C=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C20H18F3NO3S/c1-2-12-3-5-13(6-4-12)17(25)24-16(19(26)27)11-28-18(24)14-7-9-15(10-8-14)20(21,22)23/h3-10,16,18H,2,11H2,1H3,(H,26,27)