bis(2-cyanopropan-2-yl) 2-phenylsulfanylbenzene-1,3-dicarboxylate

Systemtic Name: bis(2-cyanopropan-2-yl) 2-phenylsulfanylbenzene-1,3-dicarboxylate Openeye Name: bis(1-cyano-1-methyl-ethyl) 2-phenylsulfanylbenzene-1,3-dicarboxylate CAS Name: 2-(phenylthio)benzene-1,3-dicarboxylic acid bis(2-cyanopropan-2-yl) ester IUPAC Name: bis(2-cyanopropan-2-yl) 2-phenylsulfanylbenzene-1,3-dicarboxylate Traditional Name: 2-(phenylthio)benzene-1,3-dicarboxylic acid bis(1-cyano-1-methyl-ethyl) ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)OC(=O)C1=C(C(=CC=C1)C(=O)OC(C)(C)C#N)SC2=CC=CC=C2

Isomeric SMILES

CC(C)(C#N)OC(=O)C1=C(C(=CC=C1)C(=O)OC(C)(C)C#N)SC2=CC=CC=C2

InChI

InChI=1S/C22H20N2O4S/c1-21(2,13-23)27-19(25)16-11-8-12-17(20(26)28-22(3,4)14-24)18(16)29-15-9-6-5-7-10-15/h5-12H,1-4H3