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

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C20H22BrF3N4O4S MolecularWeight: 551.37729

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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(F)(F)F)Br)C3CC3)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)C(=O)N

InChI

InChI=1S/C20H22BrF3N4O4S/c1-8(2)32-19(31)12-9(3)15(17(25)30)33-18(12)26-11(29)6-7-28-14(10-4-5-10)13(21)16(27-28)20(22,23)24/h8,10H,4-7H2,1-3H3,(H2,25,30)(H,26,29)