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

Systemtic Name: methyl 6-[3-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[3-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C18H14BrClF3N3O3S MolecularWeight: 524.73927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C(F)(F)F)Br

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)C(F)(F)F)Br

InChI

InChI=1S/C18H14BrClF3N3O3S/c1-8-13(19)16(18(21,22)23)25-26(8)6-5-12(27)24-9-3-4-10-11(7-9)30-15(14(10)20)17(28)29-2/h3-4,7H,5-6H2,1-2H3,(H,24,27)