ethyl 2-[[3-bromanyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-bromanyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[3-bromo-5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[3-bromo-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C26H22BrF3N4O3S MolecularWeight: 607.44209

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C26H22BrF3N4O3S/c1-2-37-25(36)19-15-11-7-4-8-12-17(15)38-24(19)32-23(35)21-20(27)22-31-16(14-9-5-3-6-10-14)13-18(26(28,29)30)34(22)33-21/h3,5-6,9-10,13H,2,4,7-8,11-12H2,1H3,(H,32,35)