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

Systemtic Name: ethyl 2-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H19BrF3N3O3S MolecularWeight: 482.31527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C

InChI

InChI=1S/C17H19BrF3N3O3S/c1-5-27-16(26)12-8(2)10(4)28-15(12)22-11(25)6-7-24-9(3)13(18)14(23-24)17(19,20)21/h5-7H2,1-4H3,(H,22,25)