methyl 3-[2-[2-(2,5-dimethylphenyl)sulfanylethanoyloxy]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[2-(2,5-dimethylphenyl)sulfanylethanoyloxy]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[2-(2,5-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[2-[(2,5-dimethylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(2,5-dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[2-[(2,5-dimethylphenyl)thio]acetyl]oxyacetyl]amino]-4-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)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-13-5-6-15(3)18(9-13)28-12-20(24)27-11-19(23)22-17-10-16(21(25)26-4)8-7-14(17)2/h5-10H,11-12H2,1-4H3,(H,22,23)