butan-2-yl 2-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: butan-2-yl 2-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 2-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid sec-butyl ester Formula: C20H26BrN3O3S MolecularWeight: 468.40774

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)CN3C=C(C=N3)Br

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)CN3C=C(C=N3)Br

InChI

InChI=1S/C20H26BrN3O3S/c1-4-13(3)27-20(26)17-15-7-5-6-8-16(15)28-19(17)23-18(25)12(2)10-24-11-14(21)9-22-24/h9,11-13H,4-8,10H2,1-3H3,(H,23,25)