propan-2-yl 3-(4-methyl-3-nitro-phenyl)carbonyl-2-pentyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: propan-2-yl 3-(4-methyl-3-nitro-phenyl)carbonyl-2-pentyl-1,3-thiazolidine-4-carboxylate Openeye Name: isopropyl 3-(4-methyl-3-nitro-benzoyl)-2-pentyl-thiazolidine-4-carboxylate CAS Name: 3-[(4-methyl-3-nitrophenyl)-oxomethyl]-2-pentyl-4-thiazolidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-methyl-3-nitrobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate Traditional Name: 2-amyl-3-(4-methyl-3-nitro-benzoyl)thiazolidine-4-carboxylic acid isopropyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1N(C(CS1)C(=O)OC(C)C)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1N(C(CS1)C(=O)OC(C)C)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N2O5S/c1-5-6-7-8-18-21(17(12-28-18)20(24)27-13(2)3)19(23)15-10-9-14(4)16(11-15)22(25)26/h9-11,13,17-18H,5-8,12H2,1-4H3