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

Systemtic Name: dimethyl 5-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(3,4-dimethylphenyl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-12-5-6-17(7-13(12)2)27-11-18(22)21-16-9-14(19(23)25-3)8-15(10-16)20(24)26-4/h5-10H,11H2,1-4H3,(H,21,22)