ethyl 2-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-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:

CCN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)Br

InChI

InChI=1S/C17H20BrN3O3S/c1-3-21-9-11(18)14(20-21)15(22)19-16-13(17(23)24-4-2)10-7-5-6-8-12(10)25-16/h9H,3-8H2,1-2H3,(H,19,22)