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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-cyclopropyl-pyrazole-4-carboxylic acid Openeye Name: 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxylic acid CAS Name: 5-cyclopropyl-1-(1,1-dioxo-3-thiolanyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxylic acid Traditional Name: 5-cyclopropyl-1-(1,1-diketothiolan-3-yl)pyrazole-4-carboxylic acid Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3CCS(=O)(=O)C3)C(=O)O

Isomeric SMILES

C1CC1C2=C(C=NN2C3CCS(=O)(=O)C3)C(=O)O

InChI

InChI=1S/C11H14N2O4S/c14-11(15)9-5-12-13(10(9)7-1-2-7)8-3-4-18(16,17)6-8/h5,7-8H,1-4,6H2,(H,14,15)