1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-propyl-pyrazole-4-carboxylate

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-propyl-pyrazole-4-carboxylate Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-propyl-pyrazole-4-carboxylate CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-5-propyl-4-pyrazolecarboxylate IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-propylpyrazole-4-carboxylate Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-5-propyl-pyrazole-4-carboxylate Formula: C11H15N2O4S- MolecularWeight: 271.3128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2CCS(=O)(=O)C2)C(=O)[O-]

Isomeric SMILES

CCCC1=C(C=NN1[C@H]2CCS(=O)(=O)C2)C(=O)[O-]

InChI

InChI=1S/C11H16N2O4S/c1-2-3-10-9(11(14)15)6-12-13(10)8-4-5-18(16,17)7-8/h6,8H,2-5,7H2,1H3,(H,14,15)/p-1/t8-/m0/s1