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

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-[4-bromo-5-methyl-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-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C18H20BrF3N4O4S MolecularWeight: 525.34001

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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)C)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrF3N4O4S/c1-7(2)30-17(29)11-8(3)13(15(23)28)31-16(11)24-10(27)5-6-26-9(4)12(19)14(25-26)18(20,21)22/h7H,5-6H2,1-4H3,(H2,23,28)(H,24,27)