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

Systemtic Name: methyl 5-aminocarbonyl-2-[2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H16BrF3N4O4S MolecularWeight: 497.28685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)N2C(=C(C(=N2)C(F)(F)F)Br)C)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)N2C(=C(C(=N2)C(F)(F)F)Br)C)C(=O)N

InChI

InChI=1S/C16H16BrF3N4O4S/c1-5-8(15(27)28-4)14(29-10(5)12(21)25)22-13(26)7(3)24-6(2)9(17)11(23-24)16(18,19)20/h7H,1-4H3,(H2,21,25)(H,22,26)