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

Systemtic Name: butyl 3-(4-chloranyl-3-nitro-phenyl)carbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate Openeye Name: butyl 3-(4-chloro-3-nitro-benzoyl)-2-isobutyl-thiazolidine-4-carboxylate CAS Name: 3-[(4-chloro-3-nitrophenyl)-oxomethyl]-2-(2-methylpropyl)-4-thiazolidinecarboxylic acid butyl ester IUPAC Name: butyl 3-(4-chloro-3-nitrobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-chloro-3-nitro-benzoyl)-2-isobutyl-thiazolidine-4-carboxylic acid butyl ester Formula: C19H25ClN2O5S MolecularWeight: 428.9302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CSC(N1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])CC(C)C

Isomeric SMILES

CCCCOC(=O)C1CSC(N1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])CC(C)C

InChI

InChI=1S/C19H25ClN2O5S/c1-4-5-8-27-19(24)16-11-28-17(9-12(2)3)21(16)18(23)13-6-7-14(20)15(10-13)22(25)26/h6-7,10,12,16-17H,4-5,8-9,11H2,1-3H3