2-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[1-(1,1-dioxothiolan-3-yl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetic acid CAS Name: 2-[1-(1,1-dioxo-3-thiolanyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetic acid IUPAC Name: 2-[1-(1,1-dioxothiolan-3-yl)-3-methyl-5-oxo-4H-pyrazol-4-yl]acetic acid Traditional Name: 2-[1-(1,1-diketothiolan-3-yl)-5-keto-3-methyl-2-pyrazolin-4-yl]acetic acid Formula: C10H14N2O5S MolecularWeight: 274.29356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC(=O)O)C2CCS(=O)(=O)C2

Isomeric SMILES

CC1=NN(C(=O)C1CC(=O)O)C2CCS(=O)(=O)C2

InChI

InChI=1S/C10H14N2O5S/c1-6-8(4-9(13)14)10(15)12(11-6)7-2-3-18(16,17)5-7/h7-8H,2-5H2,1H3,(H,13,14)