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

Systemtic Name: butyl 3-(4-chloranyl-3-nitro-phenyl)carbonyl-2-cyclohexyl-1,3-thiazolidine-4-carboxylate Openeye Name: butyl 3-(4-chloro-3-nitro-benzoyl)-2-cyclohexyl-thiazolidine-4-carboxylate CAS Name: 3-[(4-chloro-3-nitrophenyl)-oxomethyl]-2-cyclohexyl-4-thiazolidinecarboxylic acid butyl ester IUPAC Name: butyl 3-(4-chloro-3-nitrobenzoyl)-2-cyclohexyl-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-chloro-3-nitro-benzoyl)-2-cyclohexyl-thiazolidine-4-carboxylic acid butyl ester Formula: C21H27ClN2O5S MolecularWeight: 454.96748

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-])C3CCCCC3

Isomeric SMILES

CCCCOC(=O)C1CSC(N1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3CCCCC3

InChI

InChI=1S/C21H27ClN2O5S/c1-2-3-11-29-21(26)18-13-30-20(14-7-5-4-6-8-14)23(18)19(25)15-9-10-16(22)17(12-15)24(27)28/h9-10,12,14,18,20H,2-8,11,13H2,1H3