methyl 1-[2-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyloxy]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyloxy]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[3-(cyclohexylsulfanylmethyl)benzofuran-2-carbonyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-[(cyclohexylthio)methyl]-2-benzofuranyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbonyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[3-[(cyclohexylthio)methyl]benzofuran-2-carbonyl]oxyacetyl]isonipecotic acid methyl ester Formula: C25H31NO6S MolecularWeight: 473.58174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

InChI

InChI=1S/C25H31NO6S/c1-30-24(28)17-11-13-26(14-12-17)22(27)15-31-25(29)23-20(16-33-18-7-3-2-4-8-18)19-9-5-6-10-21(19)32-23/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3