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

Systemtic Name: 1-[3-ethanoylsulfanyl-4-(5-methyl-1H-pyrazol-3-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[3-acetylsulfanyl-4-(5-methyl-1H-pyrazol-3-yl)-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(acetylthio)-4-(5-methyl-1H-pyrazol-3-yl)-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-acetylsulfanyl-4-(5-methyl-1H-pyrazol-3-yl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[3-(acetylthio)-4-keto-4-(5-methyl-1H-pyrazol-3-yl)butanoyl]proline Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)C(CC(=O)N2CCCC2C(=O)O)SC(=O)C

Isomeric SMILES

CC1=CC(=NN1)C(=O)C(CC(=O)N2CCCC2C(=O)O)SC(=O)C

InChI

InChI=1S/C15H19N3O5S/c1-8-6-10(17-16-8)14(21)12(24-9(2)19)7-13(20)18-5-3-4-11(18)15(22)23/h6,11-12H,3-5,7H2,1-2H3,(H,16,17)(H,22,23)