dimethyl 5-[2-[2-(2-methylphenyl)sulfanylethanoyloxy]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[2-(2-methylphenyl)sulfanylethanoyloxy]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[2-(o-tolylsulfanyl)acetyl]oxyacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[2-[(2-methylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[2-(2-methylphenyl)sulfanylacetyl]oxyacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[2-(o-tolylthio)acetyl]oxyacetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H21NO7S MolecularWeight: 431.45894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)OCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)OCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H21NO7S/c1-13-6-4-5-7-17(13)30-12-19(24)29-11-18(23)22-16-9-14(20(25)27-2)8-15(10-16)21(26)28-3/h4-10H,11-12H2,1-3H3,(H,22,23)