propan-2-yl 2-[2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-[4-bromanyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C20H23BrF3N3O3S MolecularWeight: 522.37913

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CN3C(=C(C(=N3)C(F)(F)F)Br)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CN3C(=C(C(=N3)C(F)(F)F)Br)C

InChI

InChI=1S/C20H23BrF3N3O3S/c1-9(2)30-19(29)15-12-6-5-10(3)7-13(12)31-18(15)25-14(28)8-27-11(4)16(21)17(26-27)20(22,23)24/h9-10H,5-8H2,1-4H3,(H,25,28)