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

Systemtic Name: butyl 2-(3-chlorophenyl)-3-(3-nitrophenyl)carbonyl-1,3-thiazolidine-4-carboxylate Openeye Name: butyl 2-(3-chlorophenyl)-3-(3-nitrobenzoyl)thiazolidine-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3-[(3-nitrophenyl)-oxomethyl]-4-thiazolidinecarboxylic acid butyl ester IUPAC Name: butyl 2-(3-chlorophenyl)-3-(3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3-(3-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(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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