2-[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]ethanoate

Systemtic Name: 2-[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]ethanoate Openeye Name: 2-[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]acetate CAS Name: 2-[1-[(3S)-1,1-dioxo-3-thiolanyl]-3,5-dimethyl-4-pyrazolyl]acetate IUPAC Name: 2-[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]acetate Traditional Name: 2-[1-[(3S)-1,1-diketothiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]acetate Formula: C11H15N2O4S- MolecularWeight: 271.3128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)CC(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1[C@H]2CCS(=O)(=O)C2)C)CC(=O)[O-]

InChI

InChI=1S/C11H16N2O4S/c1-7-10(5-11(14)15)8(2)13(12-7)9-3-4-18(16,17)6-9/h9H,3-6H2,1-2H3,(H,14,15)/p-1/t9-/m0/s1