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

Systemtic Name: butyl 3-(3-nitrophenyl)carbonyl-2-phenyl-1,3-thiazolidine-4-carboxylate Openeye Name: butyl 3-(3-nitrobenzoyl)-2-phenyl-thiazolidine-4-carboxylate CAS Name: 3-[(3-nitrophenyl)-oxomethyl]-2-phenyl-4-thiazolidinecarboxylic acid butyl ester IUPAC Name: butyl 3-(3-nitrobenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(3-nitrobenzoyl)-2-phenyl-thiazolidine-4-carboxylic acid butyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-2-3-12-28-21(25)18-14-29-20(15-8-5-4-6-9-15)22(18)19(24)16-10-7-11-17(13-16)23(26)27/h4-11,13,18,20H,2-3,12,14H2,1H3