methyl 3-chloranyl-6-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[2-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H17ClF3N3O3S MolecularWeight: 471.88049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)N3C(=CC(=N3)C(F)(F)F)C4CC4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)N3C(=CC(=N3)C(F)(F)F)C4CC4

InChI

InChI=1S/C20H17ClF3N3O3S/c1-9(27-13(10-3-4-10)8-15(26-27)20(22,23)24)18(28)25-11-5-6-12-14(7-11)31-17(16(12)21)19(29)30-2/h5-10H,3-4H2,1-2H3,(H,25,28)