ethyl 1-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(cyclohexylsulfanylmethyl)benzofuran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-[(cyclohexylthio)methyl]-2-benzofuranyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(cyclohexylthio)methyl]benzofuran-2-carbonyl]isonipecotic acid ethyl ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4S/c1-2-28-24(27)17-12-14-25(15-13-17)23(26)22-20(16-30-18-8-4-3-5-9-18)19-10-6-7-11-21(19)29-22/h6-7,10-11,17-18H,2-5,8-9,12-16H2,1H3