dimethyl 2-[2-(4-methylphenyl)sulfanylpropanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(4-methylphenyl)sulfanylpropanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[2-(p-tolylsulfanyl)propanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(4-methylphenyl)thio]-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(4-methylphenyl)sulfanylpropanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[2-(p-tolylthio)propanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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