ethyl 5-[2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-[2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]sulfonyl-3-methyl-benzofuran-2-carboxylate CAS Name: 5-[[2-(2-ethyl-3-pyrazolyl)-1-pyrrolidinyl]sulfonyl]-3-methyl-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(2-ethylpyrazol-3-yl)pyrrolidin-1-yl]sulfonyl-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-[2-(2-ethylpyrazol-3-yl)pyrrolidino]sulfonyl-3-methyl-coumarilic acid ethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OC(=C4C)C(=O)OCC

Isomeric SMILES

CCN1C(=CC=N1)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OC(=C4C)C(=O)OCC

InChI

InChI=1S/C21H25N3O5S/c1-4-23-17(10-11-22-23)18-7-6-12-24(18)30(26,27)15-8-9-19-16(13-15)14(3)20(29-19)21(25)28-5-2/h8-11,13,18H,4-7,12H2,1-3H3