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

Systemtic Name: dimethyl 2-[2-(3,4-dimethylphenyl)sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(3,4-dimethylphenyl)thio]acetyl]amino]benzene-1,4-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=C(C=CC(=C2)C(=O)OC)C(=O)OC)C

Isomeric SMILES

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

InChI

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