2-[3,5-dimethyl-4-(thiophen-2-ylcarbonylamino)pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-[3,5-dimethyl-4-(thiophen-2-ylcarbonylamino)pyrazol-1-yl]ethanoic acid Openeye Name: 2-[3,5-dimethyl-4-(thiophene-2-carbonylamino)pyrazol-1-yl]acetic acid CAS Name: 2-[3,5-dimethyl-4-[[oxo(thiophen-2-yl)methyl]amino]-1-pyrazolyl]acetic acid IUPAC Name: 2-[3,5-dimethyl-4-(thiophene-2-carbonylamino)pyrazol-1-yl]acetic acid Traditional Name: 2-[3,5-dimethyl-4-(2-thenoylamino)pyrazol-1-yl]acetic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)O)C)NC(=O)C2=CC=CS2

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O)C)NC(=O)C2=CC=CS2

InChI

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