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

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H18BrF3N4O4S MolecularWeight: 523.32413

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3

InChI

InChI=1S/C18H18BrF3N4O4S/c1-3-30-17(29)10-7(2)13(15(23)28)31-16(10)24-9(27)6-26-12(8-4-5-8)11(19)14(25-26)18(20,21)22/h8H,3-6H2,1-2H3,(H2,23,28)(H,24,27)