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

Systemtic Name: 2-methylpropyl 3-(4-methyl-3-nitro-phenyl)carbonyl-2-pentyl-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 3-(4-methyl-3-nitro-benzoyl)-2-pentyl-thiazolidine-4-carboxylate CAS Name: 3-[(4-methyl-3-nitrophenyl)-oxomethyl]-2-pentyl-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5S/c1-5-6-7-8-19-22(18(13-29-19)21(25)28-12-14(2)3)20(24)16-10-9-15(4)17(11-16)23(26)27/h9-11,14,18-19H,5-8,12-13H2,1-4H3