dimethyl 5-[3-(2-pyridin-2-ylethylsulfanyl)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(2-pyridin-2-ylethylsulfanyl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-[2-(2-pyridyl)ethylsulfanyl]propanoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-3-[2-(2-pyridinyl)ethylthio]propyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(2-pyridin-2-ylethylsulfanyl)propanoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[3-[2-(2-pyridyl)ethylthio]propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCSCCC2=CC=CC=N2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCSCCC2=CC=CC=N2)C(=O)OC

InChI

InChI=1S/C20H22N2O5S/c1-26-19(24)14-11-15(20(25)27-2)13-17(12-14)22-18(23)7-10-28-9-6-16-5-3-4-8-21-16/h3-5,8,11-13H,6-7,9-10H2,1-2H3,(H,22,23)