dimethyl 2-[2-(1-phenylethylsulfanyl)ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(1-phenylethylsulfanyl)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-(1-phenylethylthio)ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(1-phenylethylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(1-phenylethylthio)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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