ethyl 3-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]coumarilic acid ethyl ester Formula: C25H25N3O6S2 MolecularWeight: 527.6125

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(O3)C4=CC(=CC=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CSC3=NN=C(O3)C4=CC(=CC=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C25H25N3O6S2/c1-2-32-24(29)22-20(19-11-4-5-12-21(19)33-22)16-35-25-27-26-23(34-25)17-9-8-10-18(15-17)36(30,31)28-13-6-3-7-14-28/h4-5,8-12,15H,2-3,6-7,13-14,16H2,1H3