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

Systemtic Name: ethyl 5-ethanoyl-2-[(4-iodanyl-1-methyl-pyrazol-3-yl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[(4-iodo-1-methyl-3-pyrazolyl)-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[(4-iodo-1-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[(4-iodo-1-methyl-pyrazole-3-carbonyl)amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C15H16IN3O4S MolecularWeight: 461.27471

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=NN(C=C2I)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)C2=NN(C=C2I)C

InChI

InChI=1S/C15H16IN3O4S/c1-5-23-15(22)10-7(2)12(8(3)20)24-14(10)17-13(21)11-9(16)6-19(4)18-11/h6H,5H2,1-4H3,(H,17,21)