ethyl 3-(3-nitrophenyl)carbonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylate

Systemtic Name: ethyl 3-(3-nitrophenyl)carbonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylate Openeye Name: ethyl 3-(3-nitrobenzoyl)-2-[4-(trifluoromethyl)phenyl]thiazolidine-4-carboxylate CAS Name: 3-[(3-nitrophenyl)-oxomethyl]-2-[4-(trifluoromethyl)phenyl]-4-thiazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-nitrobenzoyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(3-nitrobenzoyl)-2-[4-(trifluoromethyl)phenyl]thiazolidine-4-carboxylic acid ethyl ester Formula: C20H17F3N2O5S MolecularWeight: 454.41959

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSC(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CSC(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H17F3N2O5S/c1-2-30-19(27)16-11-31-18(12-6-8-14(9-7-12)20(21,22)23)24(16)17(26)13-4-3-5-15(10-13)25(28)29/h3-10,16,18H,2,11H2,1H3