3-[3-(2-carboxyethylsulfonyl)propanoyl]-2-(4-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[3-(2-carboxyethylsulfonyl)propanoyl]-2-(4-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[3-(2-carboxyethylsulfonyl)propanoyl]-2-(4-nitrophenyl)thiazolidine-4-carboxylic acid CAS Name: 3-[3-(2-carboxyethylsulfonyl)-1-oxopropyl]-2-(4-nitrophenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-[3-(2-carboxyethylsulfonyl)propanoyl]-2-(4-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[3-(2-carboxyethylsulfonyl)propanoyl]-2-(4-nitrophenyl)thiazolidine-4-carboxylic acid Formula: C16H18N2O9S2 MolecularWeight: 446.45212

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(S1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCS(=O)(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

C1C(N(C(S1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CCS(=O)(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C16H18N2O9S2/c19-13(5-7-29(26,27)8-6-14(20)21)17-12(16(22)23)9-28-15(17)10-1-3-11(4-2-10)18(24)25/h1-4,12,15H,5-9H2,(H,20,21)(H,22,23)