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

Systemtic Name: butyl 3-(4-methyl-3-nitro-phenyl)carbonyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-4-carboxylate Openeye Name: butyl 3-(4-methyl-3-nitro-benzoyl)-2-(3-phenoxyphenyl)thiazolidine-4-carboxylate CAS Name: 3-[(4-methyl-3-nitrophenyl)-oxomethyl]-2-(3-phenoxyphenyl)-4-thiazolidinecarboxylic acid butyl ester IUPAC Name: butyl 3-(4-methyl-3-nitrobenzoyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-methyl-3-nitro-benzoyl)-2-(3-phenoxyphenyl)thiazolidine-4-carboxylic acid butyl ester Formula: C28H28N2O6S MolecularWeight: 520.59672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CSC(N1C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1CSC(N1C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O6S/c1-3-4-15-35-28(32)25-18-37-27(21-9-8-12-23(16-21)36-22-10-6-5-7-11-22)29(25)26(31)20-14-13-19(2)24(17-20)30(33)34/h5-14,16-17,25,27H,3-4,15,18H2,1-2H3