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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C(C)N2C(=C(C(=N2)C(F)(F)F)Br)C3CC3

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C(C)N2C(=C(C(=N2)C(F)(F)F)Br)C3CC3

InChI

InChI=1S/C20H22BrF3N4O4S/c1-4-7-32-19(31)11-8(2)14(16(25)29)33-18(11)26-17(30)9(3)28-13(10-5-6-10)12(21)15(27-28)20(22,23)24/h9-10H,4-7H2,1-3H3,(H2,25,29)(H,26,30)