5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanoylamino]thiophene-2-carboxylic acid Openeye Name: 5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid CAS Name: 5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid Traditional Name: 5-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-thenoic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC(=O)NC2=CC=C(S2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)CC(=O)NC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C12H13N3O3S/c1-6-8(7(2)15-14-6)5-10(16)13-11-4-3-9(19-11)12(17)18/h3-4H,5H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)