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

Systemtic Name: ethyl 5-aminocarbonyl-2-[3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-2-[3-(4-iodo-5-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[3-(4-iodo-5-methyl-1-pyrazolyl)-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-2-[3-(4-iodo-5-methylpyrazol-1-yl)propanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[3-(4-iodo-5-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H19IN4O4S MolecularWeight: 490.31593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19IN4O4S/c1-4-25-16(24)12-8(2)13(14(18)23)26-15(12)20-11(22)5-6-21-9(3)10(17)7-19-21/h7H,4-6H2,1-3H3,(H2,18,23)(H,20,22)