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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CCN2C=C(C(=N2)C)I)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CCN2C=C(C(=N2)C)I)C(=O)N

InChI

InChI=1S/C17H21IN4O4S/c1-8(2)26-17(25)13-9(3)14(15(19)24)27-16(13)20-12(23)5-6-22-7-11(18)10(4)21-22/h7-8H,5-6H2,1-4H3,(H2,19,24)(H,20,23)