ethyl 3-(4-nitrophenyl)carbonyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-4-carboxylate

Systemtic Name: ethyl 3-(4-nitrophenyl)carbonyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-4-carboxylate Openeye Name: ethyl 3-(4-nitrobenzoyl)-2-(3-phenoxyphenyl)thiazolidine-4-carboxylate CAS Name: 3-[(4-nitrophenyl)-oxomethyl]-2-(3-phenoxyphenyl)-4-thiazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-nitrobenzoyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-nitrobenzoyl)-2-(3-phenoxyphenyl)thiazolidine-4-carboxylic acid ethyl ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O6S/c1-2-32-25(29)22-16-34-24(26(22)23(28)17-11-13-19(14-12-17)27(30)31)18-7-6-10-21(15-18)33-20-8-4-3-5-9-20/h3-15,22,24H,2,16H2,1H3