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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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