1-[3-ethanoylsulfanyl-4-oxidanylidene-4-(1H-pyrazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-ethanoylsulfanyl-4-oxidanylidene-4-(1H-pyrazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-oxo-4-(1H-pyrazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-1,4-dioxo-4-(1H-pyrazol-5-yl)butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-oxo-4-(1H-pyrazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-keto-4-(1H-pyrazol-5-yl)butanoyl]proline Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC=NN2

Isomeric SMILES

CC(=O)SC(CC(=O)N1CCCC1C(=O)O)C(=O)C2=CC=NN2

InChI

InChI=1S/C14H17N3O5S/c1-8(18)23-11(13(20)9-4-5-15-16-9)7-12(19)17-6-2-3-10(17)14(21)22/h4-5,10-11H,2-3,6-7H2,1H3,(H,15,16)(H,21,22)