ethyl 5-ethanoyl-2-[(4-iodanyl-1H-pyrazol-5-yl)carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-2-[(4-iodanyl-1H-pyrazol-5-yl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[(4-iodo-1H-pyrazole-5-carbonyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[(4-iodo-1H-pyrazol-5-yl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[(4-iodo-1H-pyrazole-5-carbonyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[(4-iodo-1H-pyrazole-5-carbonyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C14H14IN3O4S MolecularWeight: 447.24813

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=C(C=NN2)I

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=C(C=NN2)I

InChI

InChI=1S/C14H14IN3O4S/c1-4-22-14(21)9-6(2)11(7(3)19)23-13(9)17-12(20)10-8(15)5-16-18-10/h5H,4H2,1-3H3,(H,16,18)(H,17,20)