1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-thiophen-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-thiophen-2-yl-pyrazole-3-carboxylic acid Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-(2-thienyl)pyrazole-3-carboxylic acid CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-5-thiophen-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-5-thiophen-2-ylpyrazole-3-carboxylic acid Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-5-(2-thienyl)pyrazole-3-carboxylic acid Formula: C12H12N2O4S2 MolecularWeight: 312.36468

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=CC(=N2)C(=O)O)C3=CC=CS3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=CC(=N2)C(=O)O)C3=CC=CS3

InChI

InChI=1S/C12H12N2O4S2/c15-12(16)9-6-10(11-2-1-4-19-11)14(13-9)8-3-5-20(17,18)7-8/h1-2,4,6,8H,3,5,7H2,(H,15,16)/t8-/m0/s1