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

Systemtic Name: 2-methylpropyl 3-(4-chloranyl-3-nitro-phenyl)carbonyl-2-phenyl-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 3-(4-chloro-3-nitro-benzoyl)-2-phenyl-thiazolidine-4-carboxylate CAS Name: 3-[(4-chloro-3-nitrophenyl)-oxomethyl]-2-phenyl-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(4-chloro-3-nitrobenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-chloro-3-nitro-benzoyl)-2-phenyl-thiazolidine-4-carboxylic acid isobutyl ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5S/c1-13(2)11-29-21(26)18-12-30-20(14-6-4-3-5-7-14)23(18)19(25)15-8-9-16(22)17(10-15)24(27)28/h3-10,13,18,20H,11-12H2,1-2H3