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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid phthalimidomethyl ester Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H23NO5S/c27-23-18-11-4-5-12-19(18)24(28)26(23)15-30-25(29)22-20(14-32-16-8-2-1-3-9-16)17-10-6-7-13-21(17)31-22/h4-7,10-13,16H,1-3,8-9,14-15H2