3,5-dimethyl-1-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]pyrazole-4-carboxylic acid

Systemtic Name: 3,5-dimethyl-1-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]pyrazole-4-carboxylic acid Openeye Name: 3,5-dimethyl-1-(3-methyl-1,1-dioxo-thiolan-3-yl)pyrazole-4-carboxylic acid CAS Name: 3,5-dimethyl-1-(3-methyl-1,1-dioxo-3-thiolanyl)-4-pyrazolecarboxylic acid IUPAC Name: 3,5-dimethyl-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazole-4-carboxylic acid Traditional Name: 1-(1,1-diketo-3-methyl-thiolan-3-yl)-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2(CCS(=O)(=O)C2)C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2(CCS(=O)(=O)C2)C)C)C(=O)O

InChI

InChI=1S/C11H16N2O4S/c1-7-9(10(14)15)8(2)13(12-7)11(3)4-5-18(16,17)6-11/h4-6H2,1-3H3,(H,14,15)