methyl 4-[2-[2-(2,5-dimethylphenyl)sulfanylethanoyloxy]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[2-(2,5-dimethylphenyl)sulfanylethanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[2-(2,5-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[2-[(2,5-dimethylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(2,5-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(2,5-dimethylphenyl)thio]acetyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H21NO5S/c1-13-4-5-14(2)17(10-13)27-12-19(23)26-11-18(22)21-16-8-6-15(7-9-16)20(24)25-3/h4-10H,11-12H2,1-3H3,(H,21,22)