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

Systemtic Name: ethyl 2-[(4-iodanyl-1H-pyrazol-5-yl)carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-iodo-1H-pyrazole-5-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(4-iodo-1H-pyrazol-5-yl)-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-iodo-1H-pyrazole-5-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(4-iodo-1H-pyrazole-5-carbonyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C13H14IN3O3S MolecularWeight: 419.23803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14IN3O3S/c1-4-20-13(19)9-6(2)7(3)21-12(9)16-11(18)10-8(14)5-15-17-10/h5H,4H2,1-3H3,(H,15,17)(H,16,18)