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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2C(CSC2CC(C)C)C(=O)OCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2C(CSC2CC(C)C)C(=O)OCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N2O5S/c1-12(2)8-18-21(17(11-28-18)20(24)27-10-13(3)4)19(23)15-7-6-14(5)16(9-15)22(25)26/h6-7,9,12-13,17-18H,8,10-11H2,1-5H3