butyl 2-(3-chlorophenyl)-3-(4-nitrophenyl)carbonyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: butyl 2-(3-chlorophenyl)-3-(4-nitrophenyl)carbonyl-1,3-thiazolidine-4-carboxylate Openeye Name: butyl 2-(3-chlorophenyl)-3-(4-nitrobenzoyl)thiazolidine-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-[(4-nitrophenyl)-oxomethyl]-4-thiazolidinecarboxylic acid butyl ester IUPAC Name: butyl 2-(3-chlorophenyl)-3-(4-nitrobenzoyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-(4-nitrobenzoyl)thiazolidine-4-carboxylic acid butyl ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CSC(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1CSC(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H21ClN2O5S/c1-2-3-11-29-21(26)18-13-30-20(15-5-4-6-16(22)12-15)23(18)19(25)14-7-9-17(10-8-14)24(27)28/h4-10,12,18,20H,2-3,11,13H2,1H3