2-(2-ethanoylsulfanylethyl)-2-methyl-3-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-5-carboxylic acid

Systemtic Name: 2-(2-ethanoylsulfanylethyl)-2-methyl-3-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-5-carboxylic acid Openeye Name: 2-(2-acetylsulfanylethyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-5-carboxylic acid CAS Name: 2-[2-(acetylthio)ethyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-5-carboxylic acid IUPAC Name: 2-(2-acetylsulfanylethyl)-2-methyl-3-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-5-carboxylic acid Traditional Name: 2-[2-(acetylthio)ethyl]-3-keto-2-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[1,2-a]pyridazine-5-carboxylic acid Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1(CN2CCCC(N2C1=O)C(=O)O)C

Isomeric SMILES

CC(=O)SCCC1(CN2CCCC(N2C1=O)C(=O)O)C

InChI

InChI=1S/C13H20N2O4S/c1-9(16)20-7-5-13(2)8-14-6-3-4-10(11(17)18)15(14)12(13)19/h10H,3-8H2,1-2H3,(H,17,18)