(2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (2-morpholino-2-oxo-ethyl) 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (2-keto-2-morpholino-ethyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)N4CCOCC4

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)N4CCOCC4

InChI

InChI=1S/C22H27NO5S/c24-20(23-10-12-26-13-11-23)14-27-22(25)21-18(15-29-16-6-2-1-3-7-16)17-8-4-5-9-19(17)28-21/h4-5,8-9,16H,1-3,6-7,10-15H2