methyl 6-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[3-[4-bromanyl-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C20H16BrClF3N3O3S MolecularWeight: 550.77655

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)CCN3C(=C(C(=N3)C(F)(F)F)Br)C4CC4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)CCN3C(=C(C(=N3)C(F)(F)F)Br)C4CC4)Cl

InChI

InChI=1S/C20H16BrClF3N3O3S/c1-31-19(30)17-15(22)11-5-4-10(8-12(11)32-17)26-13(29)6-7-28-16(9-2-3-9)14(21)18(27-28)20(23,24)25/h4-5,8-9H,2-3,6-7H2,1H3,(H,26,29)