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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClF3N3O3S/c1-30-19(29)18-17(21)12-5-4-11(8-14(12)31-18)25-16(28)6-7-27-13(10-2-3-10)9-15(26-27)20(22,23)24/h4-5,8-10H,2-3,6-7H2,1H3,(H,25,28)