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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-ethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(1,1-dioxothiolan-3-yl)-5-ethyl-pyrazole-4-carboxylic acid CAS Name: 1-(1,1-dioxo-3-thiolanyl)-5-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(1,1-dioxothiolan-3-yl)-5-ethylpyrazole-4-carboxylic acid Traditional Name: 1-(1,1-diketothiolan-3-yl)-5-ethyl-pyrazole-4-carboxylic acid Formula: C10H14N2O4S MolecularWeight: 258.29416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2CCS(=O)(=O)C2)C(=O)O

Isomeric SMILES

CCC1=C(C=NN1C2CCS(=O)(=O)C2)C(=O)O

InChI

InChI=1S/C10H14N2O4S/c1-2-9-8(10(13)14)5-11-12(9)7-3-4-17(15,16)6-7/h5,7H,2-4,6H2,1H3,(H,13,14)