dimethyl 5-[2-(2,3,5,6-tetramethylphenyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(2,3,5,6-tetramethylphenyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[(2,3,5,6-tetramethylphenyl)thio]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(2,3,5,6-tetramethylphenyl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C

InChI

InChI=1S/C22H25NO5S/c1-12-7-13(2)15(4)20(14(12)3)29-11-19(24)23-18-9-16(21(25)27-5)8-17(10-18)22(26)28-6/h7-10H,11H2,1-6H3,(H,23,24)