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

Systemtic Name: propyl 5-aminocarbonyl-2-[3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 5-carbamoyl-2-[3-(4-iodo-3-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[3-(4-iodo-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 5-carbamoyl-2-[3-(4-iodo-3-methylpyrazol-1-yl)propanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[3-(4-iodo-3-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)C)I

Isomeric SMILES

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

InChI

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