propan-2-yl 3-(3-nitrophenyl)carbonyl-2-phenethyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: propan-2-yl 3-(3-nitrophenyl)carbonyl-2-phenethyl-1,3-thiazolidine-4-carboxylate Openeye Name: isopropyl 3-(3-nitrobenzoyl)-2-phenethyl-thiazolidine-4-carboxylate CAS Name: 3-[(3-nitrophenyl)-oxomethyl]-2-phenethyl-4-thiazolidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(3-nitrobenzoyl)-2-phenethyl-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(3-nitrobenzoyl)-2-phenethyl-thiazolidine-4-carboxylic acid isopropyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CSC(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCC3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1CSC(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5S/c1-15(2)29-22(26)19-14-30-20(12-11-16-7-4-3-5-8-16)23(19)21(25)17-9-6-10-18(13-17)24(27)28/h3-10,13,15,19-20H,11-12,14H2,1-2H3