1-[2-ethanoylsulfanyl-4-(1-methylpyrazol-4-yl)-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)C1=CN(N=C1)C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(=O)SC(CC(=O)C1=CN(N=C1)C)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C15H19N3O5S/c1-9(19)24-13(6-12(20)10-7-16-17(2)8-10)14(21)18-5-3-4-11(18)15(22)23/h7-8,11,13H,3-6H2,1-2H3,(H,22,23)