3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[(1,3,5-trimethyl-4-pyrazolyl)sulfonylamino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylic acid Traditional Name: 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]-2-thenoic acid Formula: C12H15N3O4S2 MolecularWeight: 329.3952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NS(=O)(=O)C2=C(N(N=C2C)C)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NS(=O)(=O)C2=C(N(N=C2C)C)C)C(=O)O

InChI

InChI=1S/C12H15N3O4S2/c1-6-5-9(20-10(6)12(16)17)14-21(18,19)11-7(2)13-15(4)8(11)3/h5,14H,1-4H3,(H,16,17)