(2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (2-keto-2-piperidino-ethyl) ester Formula: C23H29NO4S MolecularWeight: 415.54566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)N4CCCCC4

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)N4CCCCC4

InChI

InChI=1S/C23H29NO4S/c25-21(24-13-7-2-8-14-24)15-27-23(26)22-19(16-29-17-9-3-1-4-10-17)18-11-5-6-12-20(18)28-22/h5-6,11-12,17H,1-4,7-10,13-16H2