methyl 2-[[3-chloranyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-chloranyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[3-chloro-5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-chloro-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H20ClF3N4O3S MolecularWeight: 548.96451

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CC=C5)C(F)(F)F

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NN4C(=CC(=NC4=C3Cl)C5=CC=CC=C5)C(F)(F)F

InChI

InChI=1S/C25H20ClF3N4O3S/c1-12-8-9-14-16(10-12)37-23(18(14)24(35)36-2)31-22(34)20-19(26)21-30-15(13-6-4-3-5-7-13)11-17(25(27,28)29)33(21)32-20/h3-7,11-12H,8-10H2,1-2H3,(H,31,34)