butyl 3-(4-methyl-3-nitro-phenyl)carbonyl-2-(phenylmethyl)-1,3-thiazolidine-4-carboxylate

Systemtic Name: butyl 3-(4-methyl-3-nitro-phenyl)carbonyl-2-(phenylmethyl)-1,3-thiazolidine-4-carboxylate Openeye Name: butyl 2-benzyl-3-(4-methyl-3-nitro-benzoyl)thiazolidine-4-carboxylate CAS Name: 3-[(4-methyl-3-nitrophenyl)-oxomethyl]-2-(phenylmethyl)-4-thiazolidinecarboxylic acid butyl ester IUPAC Name: butyl 2-benzyl-3-(4-methyl-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 2-benzyl-3-(4-methyl-3-nitro-benzoyl)thiazolidine-4-carboxylic acid butyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CSC(N1C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1CSC(N1C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O5S/c1-3-4-12-30-23(27)20-15-31-21(13-17-8-6-5-7-9-17)24(20)22(26)18-11-10-16(2)19(14-18)25(28)29/h5-11,14,20-21H,3-4,12-13,15H2,1-2H3