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

Systemtic Name: methyl 3-(4-nitrophenyl)carbonyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylate Openeye Name: methyl 3-(4-nitrobenzoyl)-2-[4-(trifluoromethyl)phenyl]thiazolidine-4-carboxylate CAS Name: 3-[(4-nitrophenyl)-oxomethyl]-2-[4-(trifluoromethyl)phenyl]-4-thiazolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-nitrobenzoyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-nitrobenzoyl)-2-[4-(trifluoromethyl)phenyl]thiazolidine-4-carboxylic acid methyl ester Formula: C19H15F3N2O5S MolecularWeight: 440.39301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15F3N2O5S/c1-29-18(26)15-10-30-17(12-2-6-13(7-3-12)19(20,21)22)23(15)16(25)11-4-8-14(9-5-11)24(27)28/h2-9,15,17H,10H2,1H3