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

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-5-methyl-pyrazole-4-carboxylic acid Formula: C9H12N2O4S MolecularWeight: 244.26758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2CCS(=O)(=O)C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O4S/c1-6-8(9(12)13)4-10-11(6)7-2-3-16(14,15)5-7/h4,7H,2-3,5H2,1H3,(H,12,13)/t7-/m0/s1