ethyl 5-ethanoyl-2-[2-(4-iodanylpyrazol-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-2-[2-(4-iodanylpyrazol-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(4-iodopyrazol-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(4-iodo-1-pyrazolyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(4-iodopyrazol-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-(4-iodopyrazol-1-yl)acetyl]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)CN2C=C(C=N2)I

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CN2C=C(C=N2)I

InChI

InChI=1S/C15H16IN3O4S/c1-4-23-15(22)12-8(2)13(9(3)20)24-14(12)18-11(21)7-19-6-10(16)5-17-19/h5-6H,4,7H2,1-3H3,(H,18,21)