ethyl 3-(4-chloranyl-3-nitro-phenyl)carbonyl-2-pentyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: ethyl 3-(4-chloranyl-3-nitro-phenyl)carbonyl-2-pentyl-1,3-thiazolidine-4-carboxylate Openeye Name: ethyl 3-(4-chloro-3-nitro-benzoyl)-2-pentyl-thiazolidine-4-carboxylate CAS Name: 3-[(4-chloro-3-nitrophenyl)-oxomethyl]-2-pentyl-4-thiazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chloro-3-nitrobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate Traditional Name: 2-amyl-3-(4-chloro-3-nitro-benzoyl)thiazolidine-4-carboxylic acid ethyl ester Formula: C18H23ClN2O5S MolecularWeight: 414.90362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O5S/c1-3-5-6-7-16-20(15(11-27-16)18(23)26-4-2)17(22)12-8-9-13(19)14(10-12)21(24)25/h8-10,15-16H,3-7,11H2,1-2H3