2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid 2-phthalimidoethyl ester Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H25NO5S/c28-24-19-11-4-5-12-20(19)25(29)27(24)14-15-31-26(30)23-21(16-33-17-8-2-1-3-9-17)18-10-6-7-13-22(18)32-23/h4-7,10-13,17H,1-3,8-9,14-16H2