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

Systemtic Name: methyl 4-[[2-[2-(2,5-dimethylphenyl)sulfanylethanoyloxy]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-(2,5-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[2-[(2,5-dimethylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[2-(2,5-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[2-[(2,5-dimethylphenyl)thio]acetyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H23NO5S/c1-14-4-5-15(2)18(10-14)28-13-20(24)27-12-19(23)22-11-16-6-8-17(9-7-16)21(25)26-3/h4-10H,11-13H2,1-3H3,(H,22,23)