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

Systemtic Name: propyl 5-aminocarbonyl-2-[3-(4-iodanyl-5-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C17H21IN4O4S MolecularWeight: 504.34251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21IN4O4S/c1-4-7-26-17(25)13-9(2)14(15(19)24)27-16(13)21-12(23)5-6-22-10(3)11(18)8-20-22/h8H,4-7H2,1-3H3,(H2,19,24)(H,21,23)