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

Systemtic Name: ethyl 5-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H16BrF3N4O3S MolecularWeight: 493.29815

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C(=C(C(=N2)C(F)(F)F)Br)C)C#N)C

InChI

InChI=1S/C17H16BrF3N4O3S/c1-4-28-16(27)13-8(2)10(7-22)15(29-13)23-11(26)5-6-25-9(3)12(18)14(24-25)17(19,20)21/h4-6H2,1-3H3,(H,23,26)