dimethyl 5-[2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H15BrF3N3O5S MolecularWeight: 498.27161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=C(C(=N2)C(F)(F)F)Br)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C(=C(C(=N2)C(F)(F)F)Br)C)C(=O)OC

InChI

InChI=1S/C16H15BrF3N3O5S/c1-6-9(14(25)27-3)13(29-11(6)15(26)28-4)21-8(24)5-23-7(2)10(17)12(22-23)16(18,19)20/h5H2,1-4H3,(H,21,24)