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

Systemtic Name: ethyl 5-ethanoyl-2-[3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[3-(4-iodo-3-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[3-(4-iodo-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[3-(4-iodo-3-methylpyrazol-1-yl)propanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[3-(4-iodo-3-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H20IN3O4S MolecularWeight: 489.32787

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCN2C=C(C(=N2)C)I

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCN2C=C(C(=N2)C)I

InChI

InChI=1S/C17H20IN3O4S/c1-5-25-17(24)14-9(2)15(11(4)22)26-16(14)19-13(23)6-7-21-8-12(18)10(3)20-21/h8H,5-7H2,1-4H3,(H,19,23)