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

Systemtic Name: methyl 3-(4-nitrophenyl)carbonyl-2-phenethyl-1,3-thiazolidine-4-carboxylate Openeye Name: methyl 3-(4-nitrobenzoyl)-2-phenethyl-thiazolidine-4-carboxylate CAS Name: 3-[(4-nitrophenyl)-oxomethyl]-2-phenethyl-4-thiazolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-nitrobenzoyl)-2-phenethyl-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-nitrobenzoyl)-2-phenethyl-thiazolidine-4-carboxylic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S/c1-27-20(24)17-13-28-18(12-7-14-5-3-2-4-6-14)21(17)19(23)15-8-10-16(11-9-15)22(25)26/h2-6,8-11,17-18H,7,12-13H2,1H3