methyl 4-[[2-[2-(4-methoxyphenyl)sulfanylethanoyloxy]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[2-(4-methoxyphenyl)sulfanylethanoyloxy]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[2-(4-methoxyphenyl)sulfanylacetyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[2-[(4-methoxyphenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[2-(4-methoxyphenyl)sulfanylacetyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[2-[(4-methoxyphenyl)thio]acetyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H21NO6S/c1-25-16-7-9-17(10-8-16)28-13-19(23)27-12-18(22)21-11-14-3-5-15(6-4-14)20(24)26-2/h3-10H,11-13H2,1-2H3,(H,21,22)