dimethyl 2-[2-[2-(2-cyanophenyl)sulfanylphenyl]carbonyloxyethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[2-(2-cyanophenyl)sulfanylphenyl]carbonyloxyethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[2-(2-cyanophenyl)sulfanylbenzoyl]oxyacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[[2-[(2-cyanophenyl)thio]phenyl]-oxomethoxy]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[2-(2-cyanophenyl)sulfanylbenzoyl]oxyacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[2-[(2-cyanophenyl)thio]benzoyl]oxyacetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C26H20N2O7S MolecularWeight: 504.5112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C26H20N2O7S/c1-33-24(30)16-11-12-18(25(31)34-2)20(13-16)28-23(29)15-35-26(32)19-8-4-6-10-22(19)36-21-9-5-3-7-17(21)14-27/h3-13H,15H2,1-2H3,(H,28,29)