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

Systemtic Name: methyl 2-[2-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H15BrF3N3O3S MolecularWeight: 466.27281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN2C(=C(C(=N2)C(F)(F)F)Br)C3CC3)C(=O)OC

InChI

InChI=1S/C16H15BrF3N3O3S/c1-7-5-9(15(25)26-2)14(27-7)21-10(24)6-23-12(8-3-4-8)11(17)13(22-23)16(18,19)20/h5,8H,3-4,6H2,1-2H3,(H,21,24)