1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid Openeye Name: 1-(1,1-dioxothiolan-3-yl)-3-(5-methyl-2-thienyl)pyrazole-4-carboxylic acid CAS Name: 1-(1,1-dioxo-3-thiolanyl)-3-(5-methyl-2-thiophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(1,1-dioxothiolan-3-yl)-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid Traditional Name: 1-(1,1-diketothiolan-3-yl)-3-(5-methyl-2-thienyl)pyrazole-4-carboxylic acid Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NN(C=C2C(=O)O)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC=C(S1)C2=NN(C=C2C(=O)O)C3CCS(=O)(=O)C3

InChI

InChI=1S/C13H14N2O4S2/c1-8-2-3-11(20-8)12-10(13(16)17)6-15(14-12)9-4-5-21(18,19)7-9/h2-3,6,9H,4-5,7H2,1H3,(H,16,17)