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

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Openeye Name: 1-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid CAS Name: 1-(1,1-dioxo-3-thiolanyl)-5-(4-methoxyphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(1,1-dioxothiolan-3-yl)-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Traditional Name: 1-(1,1-diketothiolan-3-yl)-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)O

InChI

InChI=1S/C15H16N2O5S/c1-22-12-4-2-10(3-5-12)14-8-13(15(18)19)16-17(14)11-6-7-23(20,21)9-11/h2-5,8,11H,6-7,9H2,1H3,(H,18,19)