diethyl 5-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyloxy]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonyloxy]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[3-(cyclohexylsulfanylmethyl)benzofuran-2-carbonyl]oxybenzene-1,3-dicarboxylate CAS Name: 5-[[3-[(cyclohexylthio)methyl]-2-benzofuranyl]-oxomethoxy]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbonyl]oxybenzene-1,3-dicarboxylate Traditional Name: 5-[3-[(cyclohexylthio)methyl]benzofuran-2-carbonyl]oxybenzene-1,3-dicarboxylic acid diethyl ester Formula: C28H30O7S MolecularWeight: 510.5986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)OC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)OC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)C(=O)OCC

InChI

InChI=1S/C28H30O7S/c1-3-32-26(29)18-14-19(27(30)33-4-2)16-20(15-18)34-28(31)25-23(17-36-21-10-6-5-7-11-21)22-12-8-9-13-24(22)35-25/h8-9,12-16,21H,3-7,10-11,17H2,1-2H3