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

Systemtic Name: dimethyl 2-[2-(3,4-dimethoxyphenyl)sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(3,4-dimethoxyphenyl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)OC

InChI

InChI=1S/C20H21NO7S/c1-25-16-8-6-13(10-17(16)26-2)29-11-18(22)21-15-9-12(19(23)27-3)5-7-14(15)20(24)28-4/h5-10H,11H2,1-4H3,(H,21,22)