dimethyl 5-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-(cyclohexylsulfanylmethyl)benzofuran-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[3-[(cyclohexylthio)methyl]-2-benzofuranyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[3-[(cyclohexylthio)methyl]benzofuran-2-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C26H27NO6S MolecularWeight: 481.56068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4)C(=O)OC

InChI

InChI=1S/C26H27NO6S/c1-31-25(29)16-12-17(26(30)32-2)14-18(13-16)27-24(28)23-21(15-34-19-8-4-3-5-9-19)20-10-6-7-11-22(20)33-23/h6-7,10-14,19H,3-5,8-9,15H2,1-2H3,(H,27,28)