[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [2-keto-2-(2-ketopyrrolidino)ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)N4CCCC4=O

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)N4CCCC4=O

InChI

InChI=1S/C22H25NO5S/c24-19-11-6-12-23(19)20(25)13-27-22(26)21-17(14-29-15-7-2-1-3-8-15)16-9-4-5-10-18(16)28-21/h4-5,9-10,15H,1-3,6-8,11-14H2