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

Systemtic Name: dimethyl 5-[2-(2-pyridin-2-ylethylsulfanyl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[2-(2-pyridyl)ethylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[2-(2-pyridinyl)ethylthio]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(2-pyridin-2-ylethylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[2-(2-pyridyl)ethylthio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSCCC2=CC=CC=N2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSCCC2=CC=CC=N2)C(=O)OC

InChI

InChI=1S/C19H20N2O5S/c1-25-18(23)13-9-14(19(24)26-2)11-16(10-13)21-17(22)12-27-8-6-15-5-3-4-7-20-15/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,21,22)