ethyl 2-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-bromopyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-bromopyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(4-bromopyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H20BrN3O3S MolecularWeight: 426.328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3C=C(C=N3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3C=C(C=N3)Br

InChI

InChI=1S/C17H20BrN3O3S/c1-2-24-17(23)15-12-5-3-4-6-13(12)25-16(15)20-14(22)7-8-21-10-11(18)9-19-21/h9-10H,2-8H2,1H3,(H,20,22)