dimethyl 2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[3-(p-tolylsulfanyl)propanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[3-(4-methylphenyl)sulfanylpropanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[3-(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)SCCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO5S/c1-13-4-7-15(8-5-13)27-11-10-18(22)21-17-12-14(19(23)25-2)6-9-16(17)20(24)26-3/h4-9,12H,10-11H2,1-3H3,(H,21,22)