2-(3-ethanoylsulfanylpropanoyl)-5-oxidanylidene-1-phenyl-pyrazolidine-3-carboxylic acid

Systemtic Name: 2-(3-ethanoylsulfanylpropanoyl)-5-oxidanylidene-1-phenyl-pyrazolidine-3-carboxylic acid Openeye Name: 2-(3-acetylsulfanylpropanoyl)-5-oxo-1-phenyl-pyrazolidine-3-carboxylic acid CAS Name: 2-[3-(acetylthio)-1-oxopropyl]-5-oxo-1-phenyl-3-pyrazolidinecarboxylic acid IUPAC Name: 2-(3-acetylsulfanylpropanoyl)-5-oxo-1-phenylpyrazolidine-3-carboxylic acid Traditional Name: 2-[3-(acetylthio)propanoyl]-5-keto-1-phenyl-pyrazolidine-3-carboxylic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(CC(=O)N1C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)N1C(CC(=O)N1C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H16N2O5S/c1-10(18)23-8-7-13(19)17-12(15(21)22)9-14(20)16(17)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,21,22)