1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-propan-2-yl-pyrazole-3-carboxylate

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-propan-2-yl-pyrazole-3-carboxylate Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-isopropyl-pyrazole-3-carboxylate CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-5-propan-2-yl-3-pyrazolecarboxylate IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-propan-2-ylpyrazole-3-carboxylate Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-5-isopropyl-pyrazole-3-carboxylate Formula: C11H15N2O4S- MolecularWeight: 271.3128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NN1C2CCS(=O)(=O)C2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=NN1[C@H]2CCS(=O)(=O)C2)C(=O)[O-]

InChI

InChI=1S/C11H16N2O4S/c1-7(2)10-5-9(11(14)15)12-13(10)8-3-4-18(16,17)6-8/h5,7-8H,3-4,6H2,1-2H3,(H,14,15)/p-1/t8-/m0/s1