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

Systemtic Name: 3-[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]propanoate Openeye Name: 3-[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]propanoate CAS Name: 3-[1-[(3S)-1,1-dioxo-3-thiolanyl]-3,5-dimethyl-4-pyrazolyl]propanoate IUPAC Name: 3-[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]propanoate Traditional Name: 3-[1-[(3S)-1,1-diketothiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]propionate Formula: C12H17N2O4S- MolecularWeight: 285.33938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S/c1-8-11(3-4-12(15)16)9(2)14(13-8)10-5-6-19(17,18)7-10/h10H,3-7H2,1-2H3,(H,15,16)/p-1/t10-/m0/s1