dimethyl 5-[2-(4-acetamidophenyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-acetamidophenyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-acetamidophenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-acetamidophenyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-acetamidophenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-acetamidophenyl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H20N2O6S/c1-12(23)21-15-4-6-17(7-5-15)29-11-18(24)22-16-9-13(19(25)27-2)8-14(10-16)20(26)28-3/h4-10H,11H2,1-3H3,(H,21,23)(H,22,24)