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

Systemtic Name: 3-[3-(2-carboxyethylsulfanyl)propanoyl]-2-(3-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-[3-(2-carboxyethylsulfanyl)propanoyl]-2-(3-nitrophenyl)thiazolidine-4-carboxylic acid CAS Name: 3-[3-(2-carboxyethylthio)-1-oxopropyl]-2-(3-nitrophenyl)-4-thiazolidinecarboxylic acid IUPAC Name: 3-[3-(2-carboxyethylsulfanyl)propanoyl]-2-(3-nitrophenyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-[3-(2-carboxyethylthio)propanoyl]-2-(3-nitrophenyl)thiazolidine-4-carboxylic acid Formula: C16H18N2O7S2 MolecularWeight: 414.45332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O7S2/c19-13(4-6-26-7-5-14(20)21)17-12(16(22)23)9-27-15(17)10-2-1-3-11(8-10)18(24)25/h1-3,8,12,15H,4-7,9H2,(H,20,21)(H,22,23)