2-methylpropyl 2-pentyl-3-[4-(trifluoromethyl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: 2-methylpropyl 2-pentyl-3-[4-(trifluoromethyl)phenyl]carbonyl-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 2-pentyl-3-[4-(trifluoromethyl)benzoyl]thiazolidine-4-carboxylate CAS Name: 3-[oxo-[4-(trifluoromethyl)phenyl]methyl]-2-pentyl-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-pentyl-3-[4-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate Traditional Name: 2-amyl-3-[4-(trifluoromethyl)benzoyl]thiazolidine-4-carboxylic acid isobutyl ester Formula: C21H28F3NO3S MolecularWeight: 431.51213

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1N(C(CS1)C(=O)OCC(C)C)C(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCCC1N(C(CS1)C(=O)OCC(C)C)C(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C21H28F3NO3S/c1-4-5-6-7-18-25(17(13-29-18)20(27)28-12-14(2)3)19(26)15-8-10-16(11-9-15)21(22,23)24/h8-11,14,17-18H,4-7,12-13H2,1-3H3